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 |
| 44570962 | 183265 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 2.5 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL480821 | 183265 | 0 | None | - | 1 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 2.5 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 145950336 | 162265 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 430 | 4 | 3 | 3 | 3.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172656 | 162265 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 430 | 4 | 3 | 3 | 3.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156016416 | 177073 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 571 | 6 | 3 | 5 | 3.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641513 | 177073 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 571 | 6 | 3 | 5 | 3.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 16752684 | 94050 | 1 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 3.8 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL251572 | 94050 | 1 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 3.8 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 156014430 | 176639 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4635542 | 176639 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156016416 | 177073 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 571 | 6 | 3 | 5 | 3.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641513 | 177073 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 571 | 6 | 3 | 5 | 3.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 16752684 | 94050 | 1 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 3.8 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL251572 | 94050 | 1 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 3.8 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2008.12.042 | ||
| 44570963 | 183288 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 2.5 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481013 | 183288 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 2.5 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 156014430 | 176639 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4635542 | 176639 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44444563 | 154404 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 478 | 5 | 1 | 6 | 3.7 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)cc1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL401134 | 154404 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 478 | 5 | 1 | 6 | 3.7 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)cc1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 156011926 | 176816 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 557 | 6 | 4 | 5 | 2.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4638297 | 176816 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 557 | 6 | 4 | 5 | 2.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44571002 | 190494 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 437 | 4 | 2 | 6 | 1.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3CC[C@H](O)[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL518774 | 190494 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 437 | 4 | 2 | 6 | 1.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3CC[C@H](O)[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 44449987 | 95436 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 493 | 16 | 4 | 10 | 0.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCSCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL259166 | 95436 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 493 | 16 | 4 | 10 | 0.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCSCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 25010378 | 158839 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 525 | 16 | 4 | 11 | -0.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(=O)(=O)CCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL410074 | 158839 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 525 | 16 | 4 | 11 | -0.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(=O)(=O)CCO | 10.1016/j.bmcl.2008.03.059 | ||
| 44449955 | 158853 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 509 | 14 | 4 | 9 | 1.6 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(O)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL410085 | 158853 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 509 | 14 | 4 | 9 | 1.6 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(O)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| 156011926 | 176816 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 557 | 6 | 4 | 5 | 2.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4638297 | 176816 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 557 | 6 | 4 | 5 | 2.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4Cl)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156017918 | 177222 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 591 | 7 | 3 | 7 | 2.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4643530 | 177222 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 591 | 7 | 3 | 7 | 2.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156015100 | 176988 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640507 | 176988 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156017918 | 177222 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 591 | 7 | 3 | 7 | 2.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4643530 | 177222 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 591 | 7 | 3 | 7 | 2.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44570960 | 183396 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 2.4 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481796 | 183396 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 2.4 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 24894012 | 176213 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 497 | 14 | 4 | 9 | 1.6 | CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.05.100 | ||
| CHEMBL460680 | 176213 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 497 | 14 | 4 | 9 | 1.6 | CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.05.100 | ||
| 156015100 | 176988 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640507 | 176988 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44437979 | 10214 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 655 | 12 | 5 | 5 | 4.1 | NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)c1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162065 | 10214 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 655 | 12 | 5 | 5 | 4.1 | NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)c1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| 44437979 | 10214 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 655 | 12 | 5 | 5 | 4.1 | NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)c1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162065 | 10214 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 655 | 12 | 5 | 5 | 4.1 | NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)c1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| 44454303 | 97107 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL270666 | 97107 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| 156020725 | 177521 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647963 | 177521 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44570764 | 183457 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 481 | 4 | 1 | 4 | 3.8 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cc(Cl)ccc3Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL482220 | 183457 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 481 | 4 | 1 | 4 | 3.8 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cc(Cl)ccc3Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 24803512 | 88565 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364468 | 88565 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| 156020725 | 177521 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647963 | 177521 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 9917957 | 109217 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 683 | 14 | 4 | 5 | 4.3 | NC(=O)CN(CCc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1 | 10.1021/jm970342o | ||
| CHEMBL322912 | 109217 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 683 | 14 | 4 | 5 | 4.3 | NC(=O)CN(CCc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1 | 10.1021/jm970342o | ||
| 44447855 | 193177 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 539 | 15 | 4 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL539929 | 193177 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 539 | 15 | 4 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 156013414 | 176888 | 4 | None | 1905 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639111 | 176888 | 4 | None | 1905 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156013297 | 176900 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639229 | 176900 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44452749 | 95755 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 4.5 | COc1ccc(F)c(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)cc2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL260819 | 95755 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 4.5 | COc1ccc(F)c(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)cc2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44570765 | 190834 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 421 | 4 | 1 | 5 | 2.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL519301 | 190834 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 421 | 4 | 1 | 5 | 2.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 59007047 | 88523 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 5.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1C | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364427 | 88523 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 5.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1C | 10.6019/CHEMBL2364335 | ||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 25022640 | 97339 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL271876 | 97339 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454337 | 155051 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404545 | 155051 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44447839 | 94537 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 499 | 14 | 4 | 10 | 0.6 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254765 | 94537 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 499 | 14 | 4 | 10 | 0.6 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 156013414 | 176888 | 4 | None | 1905 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639111 | 176888 | 4 | None | 1905 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156013297 | 176900 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639229 | 176900 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 523 | 6 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44447857 | 166312 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 497 | 14 | 4 | 10 | 0.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1Cl)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL428592 | 166312 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 497 | 14 | 4 | 10 | 0.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1Cl)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 156019724 | 177407 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4646219 | 177407 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 22888474 | 63119 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 525 | 9 | 1 | 6 | 5.6 | COc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)c1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL179823 | 63119 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 525 | 9 | 1 | 6 | 5.6 | COc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)c1 | 10.1016/j.bmcl.2005.02.040 | ||
| 11306502 | 63296 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180094 | 63296 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 11306502 | 63296 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180094 | 63296 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 11306502 | 63296 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180094 | 63296 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 22888476 | 122290 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 525 | 9 | 1 | 6 | 5.6 | COc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL360547 | 122290 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 525 | 9 | 1 | 6 | 5.6 | COc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| 22888476 | 122290 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 525 | 9 | 1 | 6 | 5.6 | COc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL360547 | 122290 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 525 | 9 | 1 | 6 | 5.6 | COc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| 44454117 | 155004 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404336 | 155004 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| 44444559 | 93987 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 451 | 4 | 1 | 5 | 3.8 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc3ccccc3c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL251169 | 93987 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 451 | 4 | 1 | 5 | 3.8 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc3ccccc3c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 156011750 | 176706 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccccc2Cl)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636502 | 176706 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccccc2Cl)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156019724 | 177407 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4646219 | 177407 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 523 | 7 | 3 | 5 | 2.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44453123 | 97524 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(Cl)ccc2F)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL272753 | 97524 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(Cl)ccc2F)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44570966 | 182977 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 437 | 4 | 2 | 6 | 1.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL480037 | 182977 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 437 | 4 | 2 | 6 | 1.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3C[C@H](O)C[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 59007062 | 88525 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364429 | 88525 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1F | 10.6019/CHEMBL2364335 | ||
| 24803514 | 88570 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364472 | 88570 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| 44447852 | 155010 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 477 | 14 | 4 | 10 | 0.6 | Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL404354 | 155010 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 477 | 14 | 4 | 10 | 0.6 | Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 156011750 | 176706 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccccc2Cl)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636502 | 176706 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccccc2Cl)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44450016 | 160001 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 489 | 17 | 4 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL411259 | 160001 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 489 | 17 | 4 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 44454367 | 94804 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL256235 | 94804 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| 22867441 | 10203 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161835 | 10203 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 16114096 | 78735 | 1 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL2113324 | 78735 | 1 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 | 10.1021/jm0704550 | ||
| 22867441 | 10203 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161835 | 10203 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44447841 | 154527 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.6 | CC(C)(N)C(=O)N[C@H](COCc1cccc(Cl)c1Cl)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL401827 | 154527 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.6 | CC(C)(N)C(=O)N[C@H](COCc1cccc(Cl)c1Cl)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 69195371 | 88449 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 472 | 6 | 2 | 7 | 4.1 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364354 | 88449 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 472 | 6 | 2 | 7 | 4.1 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 44450101 | 158901 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 495 | 13 | 4 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCc1cccc(O)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL410135 | 158901 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 495 | 13 | 4 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCc1cccc(O)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| 44391039 | 131253 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 540 | 9 | 1 | 7 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL369329 | 131253 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 540 | 9 | 1 | 7 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44449988 | 160542 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 477 | 16 | 4 | 10 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCOCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL411697 | 160542 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 477 | 16 | 4 | 10 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCOCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 44447843 | 94565 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1C(F)(F)F)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254973 | 94565 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1C(F)(F)F)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 10280020 | 62747 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 529 | 8 | 1 | 5 | 6.2 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccc(Cl)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL178900 | 62747 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 529 | 8 | 1 | 5 | 6.2 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccc(Cl)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 156021297 | 177505 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647797 | 177505 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44444571 | 93532 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 498 | 5 | 1 | 7 | 4.1 | COc1cc2c(cc1N1C[C@H](C)NC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL248544 | 93532 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 498 | 5 | 1 | 7 | 4.1 | COc1cc2c(cc1N1C[C@H](C)NC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 10553921 | 104068 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 517 | 9 | 4 | 4 | 2.9 | CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL310457 | 104068 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 517 | 9 | 4 | 4 | 2.9 | CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| 10345516 | 138732 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL379074 | 138732 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1016/j.bmc.2007.01.057 | ||
| 156012122 | 176797 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637980 | 176797 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156021297 | 177505 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647797 | 177505 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11584048 | 97566 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1Cl | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL272993 | 97566 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1Cl | 10.1016/j.bmcl.2007.12.021 | ||
| 24755624 | 156746 | 1 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 455 | 6 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL407706 | 156746 | 1 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 455 | 6 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 24755624 | 156746 | 1 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 455 | 6 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL407706 | 156746 | 1 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 455 | 6 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1 | 10.1016/j.bmcl.2008.12.042 | ||
| 69197353 | 88503 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)cs3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364408 | 88503 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)cs3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 44454060 | 154781 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL403180 | 154781 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 10553921 | 104068 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 517 | 9 | 4 | 4 | 2.9 | CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL310457 | 104068 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 517 | 9 | 4 | 4 | 2.9 | CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| 10345516 | 138732 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL379074 | 138732 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1016/j.bmc.2007.01.057 | ||
| 127047525 | 139224 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 858 | 20 | 7 | 9 | 5.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798559 | 139224 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 858 | 20 | 7 | 9 | 5.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 156022162 | 177622 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 557 | 8 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCCN1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649634 | 177622 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 557 | 8 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCCN1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156012122 | 176797 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637980 | 176797 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 20600693 | 63111 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 566 | 11 | 1 | 6 | 4.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C(=O)N(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL179785 | 63111 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 566 | 11 | 1 | 6 | 4.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C(=O)N(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44560945 | 178513 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 391 | 9 | 2 | 7 | 2.1 | CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.05.100 | ||
| CHEMBL471751 | 178513 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 391 | 9 | 2 | 7 | 2.1 | CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.05.100 | ||
| 216208 | 9620 | 27 | None | -5 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL113313 | 9620 | 27 | None | -5 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| 44449891 | 96014 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 539 | 16 | 4 | 10 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL262358 | 96014 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 539 | 16 | 4 | 10 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 216208 | 9620 | 27 | None | -5 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL113313 | 9620 | 27 | None | -5 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| 156021478 | 177471 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 509 | 7 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647258 | 177471 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 509 | 7 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44437955 | 10212 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 534 | 11 | 4 | 6 | 2.6 | NCC(O)CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCCN1C(=O)CCSc2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162063 | 10212 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 534 | 11 | 4 | 6 | 2.6 | NCC(O)CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCCN1C(=O)CCSc2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| 9807597 | 182425 | 3 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 513 | 7 | 4 | 4 | 3.5 | CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL47938 | 182425 | 3 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 513 | 7 | 4 | 4 | 3.5 | CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1016/j.bmc.2007.01.057 | ||
| 156018364 | 177329 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645148 | 177329 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156021478 | 177471 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 509 | 7 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647258 | 177471 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 509 | 7 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NC[C@H]3CCCN3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156022090 | 177619 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649603 | 177619 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156022162 | 177622 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 557 | 8 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCCN1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649634 | 177622 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 557 | 8 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)NC[C@@H]1CCCN1)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 56926175 | 68656 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL1923504 | 68656 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 56926356 | 68662 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL1923512 | 68662 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | nan | ||
| 56926461 | 68679 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923609 | 68679 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926462 | 68680 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923610 | 68680 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 57399248 | 68687 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923617 | 68687 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 11664206 | 68696 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923626 | 68696 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 56926894 | 68707 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| CHEMBL1923638 | 68707 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| 11526745 | 68711 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923642 | 68711 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 11526696 | 71243 | 13 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| CHEMBL1923502 | 71243 | 13 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| CHEMBL1963249 | 71243 | 13 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| 134130631 | 141829 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 576 | 5 | 4 | 6 | 3.4 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC(=O)[C@H](CC(C)C)NCCOc3ccccc3/C=C\CNC2=O)cc1 | nan | ||
| CHEMBL3889512 | 141829 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 576 | 5 | 4 | 6 | 3.4 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC(=O)[C@H](CC(C)C)NCCOc3ccccc3/C=C\CNC2=O)cc1 | nan | ||
| 134137202 | 142282 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 552 | 5 | 3 | 6 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3893048 | 142282 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 552 | 5 | 3 | 6 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134137257 | 142593 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 540 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3895776 | 142593 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 540 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134133518 | 142909 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 552 | 2 | 4 | 5 | 3.4 | CC1(C)NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| CHEMBL3898348 | 142909 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 552 | 2 | 4 | 5 | 3.4 | CC1(C)NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| 134133352 | 142961 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3898794 | 142961 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134134286 | 143150 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 598 | 5 | 3 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3900284 | 143150 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 598 | 5 | 3 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134135712 | 143594 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 533 | 4 | 4 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3903845 | 143594 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 533 | 4 | 4 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C1=O | nan | ||
| 11512561 | 143824 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 574 | 3 | 3 | 5 | 3.4 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3905791 | 143824 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 574 | 3 | 3 | 5 | 3.4 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134133037 | 144022 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3907497 | 144022 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134132893 | 144318 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 4 | 4 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3909834 | 144318 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 4 | 4 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134132152 | 144387 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3910300 | 144387 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134142218 | 144742 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 564 | 4 | 4 | 5 | 3.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3913052 | 144742 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 564 | 4 | 4 | 5 | 3.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134142433 | 144781 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 534 | 3 | 4 | 6 | 1.8 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| CHEMBL3913335 | 144781 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 534 | 3 | 4 | 6 | 1.8 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| 134142839 | 144841 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 520 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3913855 | 144841 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 520 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134143635 | 145029 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3915269 | 145029 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134143366 | 145215 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 578 | 4 | 4 | 4 | 4.6 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3916659 | 145215 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 578 | 4 | 4 | 4 | 4.6 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134142204 | 145392 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3918046 | 145392 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 11584702 | 145646 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 540 | 3 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3920049 | 145646 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 540 | 3 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134140270 | 145828 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 536 | 4 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3921499 | 145828 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 536 | 4 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134139279 | 145902 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 594 | 4 | 4 | 5 | 4.1 | CCC(C)[C@H]1NCCOc2ccccc2[C@H]2C[C@@H]2CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3922056 | 145902 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 594 | 4 | 4 | 5 | 4.1 | CCC(C)[C@H]1NCCOc2ccccc2[C@H]2C[C@@H]2CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134139286 | 146009 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3922810 | 146009 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134141886 | 146573 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3927481 | 146573 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 117812380 | 147207 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 617 | 5 | 4 | 7 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(NS(C)(=O)=O)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3932408 | 147207 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 617 | 5 | 4 | 7 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(NS(C)(=O)=O)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134138595 | 147210 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 544 | 2 | 4 | 5 | 3.3 | O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1 | nan | ||
| CHEMBL3932434 | 147210 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 544 | 2 | 4 | 5 | 3.3 | O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1 | nan | ||
| 134138824 | 147470 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 525 | 3 | 3 | 6 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3934402 | 147470 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 525 | 3 | 3 | 6 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134148504 | 147810 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 518 | 4 | 3 | 4 | 3.4 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3937200 | 147810 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 518 | 4 | 3 | 4 | 3.4 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134149306 | 147930 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 520 | 3 | 3 | 5 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC#Cc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3938104 | 147930 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 520 | 3 | 3 | 5 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC#Cc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134145791 | 148242 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 596 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3940705 | 148242 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 596 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134145564 | 148546 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3943086 | 148546 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134147441 | 148945 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 2 | 4 | 5 | 3.0 | C[C@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| CHEMBL3946348 | 148945 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 538 | 2 | 4 | 5 | 3.0 | C[C@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| 134155239 | 150470 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 564 | 3 | 4 | 5 | 3.4 | O=C1NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL3958460 | 150470 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 564 | 3 | 4 | 5 | 3.4 | O=C1NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccc(Cl)cc1 | nan | ||
| 134155132 | 150548 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 502 | 4 | 3 | 5 | 2.9 | CC[C@H](C)[C@]1(C)NCCOc2ccccc2CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3959108 | 150548 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 502 | 4 | 3 | 5 | 2.9 | CC[C@H](C)[C@]1(C)NCCOc2ccccc2CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134154079 | 151859 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 512 | 4 | 4 | 5 | 3.2 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](CC(C)C)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3970499 | 151859 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 512 | 4 | 4 | 5 | 3.2 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](CC(C)C)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134153247 | 152176 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 582 | 4 | 4 | 6 | 2.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| CHEMBL3973085 | 152176 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 582 | 4 | 4 | 6 | 2.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| 44570763 | 189655 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 2.7 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cc(F)ccc3F)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL517543 | 189655 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 2.7 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cc(F)ccc3F)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 9890504 | 89296 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 461 | 10 | 3 | 10 | -0.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CC[C@@H](O)C1 | 10.1021/jm7010595 | ||
| CHEMBL237699 | 89296 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 461 | 10 | 3 | 10 | -0.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CC[C@@H](O)C1 | 10.1021/jm7010595 | ||
| 24969109 | 88433 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 444 | 5 | 2 | 6 | 3.8 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364338 | 88433 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 444 | 5 | 2 | 6 | 3.8 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| 11518200 | 88448 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364353 | 88448 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11641108 | 88477 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364382 | 88477 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69197887 | 88498 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2C)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364403 | 88498 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2C)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 44447856 | 161253 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 558 | 15 | 4 | 12 | 1.6 | Cc1noc(C)c1-c1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL414394 | 161253 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 558 | 15 | 4 | 12 | 1.6 | Cc1noc(C)c1-c1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 156018364 | 177329 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645148 | 177329 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156022090 | 177619 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649603 | 177619 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 10323604 | 10197 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161828 | 10197 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 10323604 | 10197 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161828 | 10197 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44447853 | 94510 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 493 | 15 | 4 | 11 | 0.3 | COc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254565 | 94510 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 493 | 15 | 4 | 11 | 0.3 | COc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 25022503 | 155011 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 540 | 15 | 4 | 11 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1cccnc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL404355 | 155011 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 540 | 15 | 4 | 11 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1cccnc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44269035 | 27110 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 490 | 5 | 4 | 5 | 2.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13675 | 27110 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 490 | 5 | 4 | 5 | 2.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 44269039 | 97876 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL275093 | 97876 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 145956061 | 162131 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170481 | 162131 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44570965 | 189235 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 418 | 4 | 2 | 6 | 0.8 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCNC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL516602 | 189235 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 418 | 4 | 2 | 6 | 0.8 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCNC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 69194933 | 88520 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 455 | 5 | 2 | 5 | 5.0 | Cc1csc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3C)cc2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364424 | 88520 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 455 | 5 | 2 | 5 | 5.0 | Cc1csc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3C)cc2)c1 | 10.6019/CHEMBL2364335 | ||
| 69198297 | 88529 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)cs3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364432 | 88529 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)cs3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 44447850 | 94481 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 488 | 14 | 4 | 11 | 0.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1C#N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254363 | 94481 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 488 | 14 | 4 | 11 | 0.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1C#N)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44450015 | 95858 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 475 | 16 | 4 | 9 | 0.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL261358 | 95858 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 475 | 16 | 4 | 9 | 0.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/j.bmc.2007.01.057 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/j.bmc.2007.01.057 | ||
| 178024 | 1932 | 30 | None | 1 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(97)10199-8 | ||
| 5867 | 1932 | 30 | None | 1 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13817 | 1932 | 30 | None | 1 | 3 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(97)10199-8 | ||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/j.bmc.2007.01.057 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/j.bmc.2007.01.057 | ||
| 145956061 | 162131 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170481 | 162131 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44450104 | 95344 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 496 | 14 | 4 | 10 | -1.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(N)(=O)=O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL258761 | 95344 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 496 | 14 | 4 | 10 | -1.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(N)(=O)=O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/j.bmcl.2008.03.059 | ||||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm300414b | ||||
| 22888475 | 63479 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 523 | 9 | 1 | 6 | 5.4 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccc(C=O)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180246 | 63479 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 523 | 9 | 1 | 6 | 5.4 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccc(C=O)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/j.bmcl.2005.02.040 | ||||
| 162653916 | 179953 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 707 | 15 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4753794 | 179953 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 707 | 15 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/j.bmcl.2008.02.021 | ||||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/j.bmcl.2008.05.100 | ||||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(01)00324-9 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(01)00324-9 | ||
| 156012849 | 176714 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636571 | 176714 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44390996 | 63958 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 563 | 8 | 1 | 5 | 6.6 | CC(C)N(CCNC(=O)C1c2ccc(Oc3cccc(C(F)(F)F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181063 | 63958 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 563 | 8 | 1 | 5 | 6.6 | CC(C)N(CCNC(=O)C1c2ccc(Oc3cccc(C(F)(F)F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 11353414 | 64270 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 553 | 11 | 1 | 7 | 4.5 | COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181764 | 64270 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 553 | 11 | 1 | 7 | 4.5 | COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 11353414 | 64270 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 553 | 11 | 1 | 7 | 4.5 | COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181764 | 64270 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 553 | 11 | 1 | 7 | 4.5 | COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44347919 | 16182 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 606 | 14 | 3 | 6 | 4.2 | C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](CC1=CCC(c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL122939 | 16182 | 0 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 606 | 14 | 3 | 6 | 4.2 | C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](CC1=CCC(c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 16133832 | 211573 | 15 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/acs.jmedchem.8b01644 | ||||
| CHEMBL425281 | 211573 | 15 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/acs.jmedchem.8b01644 | ||||
| 145957574 | 161739 | 0 | None | 57 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164328 | 161739 | 0 | None | 57 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 9875705 | 203580 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL79263 | 203580 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| 156012849 | 176714 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636571 | 176714 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156013219 | 176905 | 0 | None | 60 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639379 | 176905 | 0 | None | 60 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11648350 | 88476 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364381 | 88476 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 59007043 | 88479 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2c(Cl)cccc2c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364384 | 88479 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2c(Cl)cccc2c1 | 10.6019/CHEMBL2364335 | ||
| 69197106 | 88522 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)s3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364426 | 88522 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)s3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 24803348 | 88527 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 459 | 6 | 2 | 6 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364430 | 88527 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 459 | 6 | 2 | 6 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1F | 10.6019/CHEMBL2364335 | ||
| 69197228 | 88573 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 445 | 5 | 2 | 5 | 4.6 | C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364475 | 88573 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 445 | 5 | 2 | 5 | 4.6 | C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 16114291 | 190690 | 1 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL5190973 | 190690 | 1 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| 16114292 | 96473 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm701292s | ||
| CHEMBL266063 | 96473 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm701292s | ||
| 9875705 | 203580 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL79263 | 203580 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1016/j.bmc.2007.01.057 | ||
| 44436850 | 91104 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 564 | 11 | 4 | 6 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL240509 | 91104 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 564 | 11 | 4 | 6 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44447840 | 94538 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 497 | 14 | 4 | 10 | 0.9 | CC(C)(N)C(=O)N[C@H](COCc1cccc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254766 | 94538 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 497 | 14 | 4 | 10 | 0.9 | CC(C)(N)C(=O)N[C@H](COCc1cccc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44447854 | 94511 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 469 | 14 | 4 | 10 | 0.7 | CC(C)(N)C(=O)N[C@H](COCC1CCCCC1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254566 | 94511 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 469 | 14 | 4 | 10 | 0.7 | CC(C)(N)C(=O)N[C@H](COCC1CCCCC1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL105462 | 206716 | 34 | None | 12 | 2 | Rat | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm980197u | ||||
| 44447844 | 94423 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1cccc(C(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL253965 | 94423 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1cccc(C(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44450017 | 95886 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 461 | 15 | 4 | 9 | 0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL261544 | 95886 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 461 | 15 | 4 | 9 | 0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 10118326 | 23874 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 509 | 9 | 4 | 4 | 3.7 | O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccc2ccccc2c1)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL133848 | 23874 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 509 | 9 | 4 | 4 | 3.7 | O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccc2ccccc2c1)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| 10458218 | 27265 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(=O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13687 | 27265 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CC(=O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 10745618 | 112475 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 568 | 13 | 2 | 4 | 4.5 | CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CC1 | 10.1021/jm980197u | ||
| CHEMBL331093 | 112475 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 568 | 13 | 2 | 4 | 4.5 | CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CC1 | 10.1021/jm980197u | ||
| 10118326 | 23874 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 509 | 9 | 4 | 4 | 3.7 | O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccc2ccccc2c1)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL133848 | 23874 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 509 | 9 | 4 | 4 | 3.7 | O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccc2ccccc2c1)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| 156010457 | 176470 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4632657 | 176470 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 23649669 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL398372 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 23649669 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1021/jm7010595 | ||
| CHEMBL398372 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1021/jm7010595 | ||
| 23649669 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.05.100 | ||
| CHEMBL398372 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.05.100 | ||
| 23649669 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL398372 | 153421 | 7 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 14 | 4 | 10 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44437955 | 10212 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 534 | 11 | 4 | 6 | 2.6 | NCC(O)CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCCN1C(=O)CCSc2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162063 | 10212 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 534 | 11 | 4 | 6 | 2.6 | NCC(O)CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCCN1C(=O)CCSc2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| 10626337 | 100742 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL295984 | 100742 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| 156010457 | 176470 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4632657 | 176470 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 2.3 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccc(Cl)cc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156012445 | 176751 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637284 | 176751 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156015928 | 176997 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640615 | 176997 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44452750 | 95797 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 481 | 7 | 2 | 6 | 4.4 | COc1cccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)cc2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL261030 | 95797 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 481 | 7 | 2 | 6 | 4.4 | COc1cccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)cc2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44452932 | 97125 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1F | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL270790 | 97125 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1F | 10.1016/j.bmcl.2007.12.021 | ||
| 44570700 | 183367 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 2.1 | COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@H](N)C3)cc2)c1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481620 | 183367 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 2.1 | COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@H](N)C3)cc2)c1 | 10.1016/j.bmcl.2008.12.042 | ||
| 69197169 | 88494 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364399 | 88494 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11641478 | 88502 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364407 | 88502 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)s1 | 10.6019/CHEMBL2364335 | ||
| 24803350 | 88538 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 455 | 6 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1C | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364441 | 88538 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 455 | 6 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1C | 10.6019/CHEMBL2364335 | ||
| 11547664 | 88578 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364480 | 88578 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| 44579802 | 186176 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL488965 | 186176 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44444572 | 93572 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 498 | 5 | 1 | 7 | 4.1 | COc1cc2c(cc1N1C[C@@H](C)NC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL248745 | 93572 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 498 | 5 | 1 | 7 | 4.1 | COc1cc2c(cc1N1C[C@@H](C)NC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145962494 | 161513 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160705 | 161513 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145951150 | 162214 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171914 | 162214 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 44434120 | 89463 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 523 | 15 | 3 | 9 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNC(=O)OCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237926 | 89463 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 523 | 15 | 3 | 9 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNC(=O)OCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 9827234 | 5249 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 498 | 9 | 5 | 4 | 3.1 | O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL106841 | 5249 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 498 | 9 | 5 | 4 | 3.1 | O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44411718 | 10194 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 467 | 7 | 2 | 5 | 3.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161825 | 10194 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 467 | 7 | 2 | 5 | 3.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44437953 | 10211 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 522 | 9 | 3 | 6 | 1.5 | NCCNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCN1C(=O)CCS(=O)(=O)c2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162062 | 10211 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 522 | 9 | 3 | 6 | 1.5 | NCCNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCN1C(=O)CCS(=O)(=O)c2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| 44293557 | 100606 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 447 | 7 | 2 | 3 | 3.7 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL294923 | 100606 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 447 | 7 | 2 | 3 | 3.7 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL540001 | 100606 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 447 | 7 | 2 | 3 | 3.7 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 127046473 | 139237 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 661 | 17 | 6 | 8 | 4.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798645 | 139237 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 661 | 17 | 6 | 8 | 4.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 156012203 | 176750 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 558 | 7 | 3 | 8 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1nnc(-c2ccc(F)cc2)s1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637255 | 176750 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 558 | 7 | 3 | 8 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1nnc(-c2ccc(F)cc2)s1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156016696 | 177046 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641201 | 177046 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11525404 | 94924 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL256808 | 94924 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44571004 | 183454 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 431 | 5 | 1 | 5 | 2.6 | CNC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccc(C)o3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL482203 | 183454 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 431 | 5 | 1 | 5 | 2.6 | CNC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccc(C)o3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL105462 | 206716 | 34 | None | 12 | 2 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/s0960-894x(97)10199-8 | ||||
| 24969294 | 88438 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 460 | 5 | 3 | 6 | 3.1 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)c[nH]c3=O)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364343 | 88438 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 460 | 5 | 3 | 6 | 3.1 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)c[nH]c3=O)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| 69194607 | 88453 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 466 | 6 | 2 | 6 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364358 | 88453 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 466 | 6 | 2 | 6 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69197049 | 88454 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 472 | 6 | 2 | 7 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364359 | 88454 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 472 | 6 | 2 | 7 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)s1 | 10.6019/CHEMBL2364335 | ||
| 69195141 | 88472 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1csc2ccccc12 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364377 | 88472 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 431 | 5 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1csc2ccccc12 | 10.6019/CHEMBL2364335 | ||
| 11682686 | 88485 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 395 | 4 | 2 | 4 | 3.8 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364390 | 88485 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 395 | 4 | 2 | 4 | 3.8 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69198021 | 88528 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2cccc(Cl)c12 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364431 | 88528 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2cccc(Cl)c12 | 10.6019/CHEMBL2364335 | ||
| 11655608 | 88541 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 463 | 5 | 2 | 5 | 4.7 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)c(F)c3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364444 | 88541 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 463 | 5 | 2 | 5 | 4.7 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)c(F)c3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69194649 | 88575 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 479 | 5 | 2 | 5 | 5.2 | C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364477 | 88575 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 479 | 5 | 2 | 5 | 5.2 | C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69196750 | 88577 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 472 | 6 | 2 | 7 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)nc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364479 | 88577 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 472 | 6 | 2 | 7 | 4.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)nc1 | 10.6019/CHEMBL2364335 | ||
| 23730339 | 147575 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 475 | 10 | 3 | 10 | 0.4 | CC1(O)CCN(C(=O)OCCn2nnnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1 | 10.1021/jm7010595 | ||
| CHEMBL393531 | 147575 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 475 | 10 | 3 | 10 | 0.4 | CC1(O)CCN(C(=O)OCCn2nnnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1 | 10.1021/jm7010595 | ||
| 156016696 | 177046 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641201 | 177046 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145993528 | 166753 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 561 | 5 | 1 | 4 | 6.6 | C#Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4294083 | 166753 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 561 | 5 | 1 | 4 | 6.6 | C#Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 156012203 | 176750 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 558 | 7 | 3 | 8 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1nnc(-c2ccc(F)cc2)s1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637255 | 176750 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 558 | 7 | 3 | 8 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1nnc(-c2ccc(F)cc2)s1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145950201 | 162380 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174476 | 162380 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44281466 | 168805 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 436 | 8 | 2 | 4 | 2.9 | Cc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL442151 | 168805 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 436 | 8 | 2 | 4 | 2.9 | Cc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44452806 | 96222 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 4.6 | CC(C)Oc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL263916 | 96222 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 4.6 | CC(C)Oc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44452885 | 97352 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 8 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL271948 | 97352 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 481 | 8 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 11633712 | 158776 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 3.9 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL410013 | 158776 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 446 | 5 | 2 | 6 | 3.9 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| 57390496 | 68698 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| CHEMBL1923628 | 68698 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| 56926782 | 68700 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923631 | 68700 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926785 | 68703 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923634 | 68703 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926892 | 68705 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923636 | 68705 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926893 | 68706 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | nan | ||
| CHEMBL1923637 | 68706 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | nan | ||
| 134131183 | 141924 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3890296 | 141924 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134133488 | 142692 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 600 | 4 | 4 | 5 | 4.1 | CC[C@H](C)[C@@H]1NCCOc2ccc(F)cc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3896536 | 142692 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 600 | 4 | 4 | 5 | 4.1 | CC[C@H](C)[C@@H]1NCCOc2ccc(F)cc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134134870 | 143847 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 534 | 3 | 4 | 5 | 2.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3905987 | 143847 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 534 | 3 | 4 | 5 | 2.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134132958 | 144116 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 536 | 3 | 3 | 5 | 2.4 | C[C@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCN[C@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3908264 | 144116 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 536 | 3 | 3 | 5 | 2.4 | C[C@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCN[C@H](C2CC2)C(=O)N1C | nan | ||
| 134132265 | 144426 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 548 | 3 | 4 | 6 | 2.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOCC2)NC1=O | nan | ||
| CHEMBL3910661 | 144426 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 548 | 3 | 4 | 6 | 2.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOCC2)NC1=O | nan | ||
| 76460236 | 144915 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CCC(C)C1NCCCCCCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3914338 | 144915 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CCC(C)C1NCCCCCCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134141159 | 146184 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3924192 | 146184 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134149092 | 147909 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 520 | 4 | 4 | 5 | 2.5 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| CHEMBL3937924 | 147909 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 520 | 4 | 4 | 5 | 2.5 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| 134146570 | 148236 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3940653 | 148236 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145820 | 148490 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3942642 | 148490 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134155024 | 150468 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 520 | 4 | 3 | 4 | 3.6 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3958451 | 150468 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 520 | 4 | 3 | 4 | 3.6 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134155282 | 150798 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3961108 | 150798 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134152627 | 151004 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 504 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3963078 | 151004 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 504 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134150696 | 151535 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CCC(C)C1NCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3967506 | 151535 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CCC(C)C1NCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134150029 | 151571 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3967783 | 151571 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134153608 | 151826 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3970180 | 151826 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134154022 | 152281 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 532 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3973940 | 152281 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 532 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134151899 | 152773 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3978207 | 152773 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 134156625 | 153105 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 472 | 4 | 3 | 5 | 1.7 | CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3981072 | 153105 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 472 | 4 | 3 | 5 | 1.7 | CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 16040587 | 178794 | 0 | None | -14 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| CHEMBL473921 | 178794 | 0 | None | -14 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm801332q | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c02191 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c02191 | ||||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1016/j.bmcl.2016.04.003 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1016/j.bmcl.2016.04.003 | ||||
| CHEMBL3578015 | 210009 | 0 | None | -33 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| CHEMBL3578018 | 210012 | 0 | None | -15 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 69198097 | 88459 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 452 | 6 | 2 | 6 | 3.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccnc2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364364 | 88459 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 452 | 6 | 2 | 6 | 3.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccnc2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69198438 | 88461 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccnc2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364366 | 88461 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccnc2)s1 | 10.6019/CHEMBL2364335 | ||
| 69196473 | 88470 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 452 | 5 | 2 | 6 | 4.3 | C[C@H]1CN(c2cc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)ccc2C#N)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364375 | 88470 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 452 | 5 | 2 | 6 | 4.3 | C[C@H]1CN(c2cc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)ccc2C#N)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69197657 | 88471 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 497 | 8 | 2 | 7 | 4.5 | COc1ccc(Oc2cccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)c2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364376 | 88471 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 497 | 8 | 2 | 7 | 4.5 | COc1ccc(Oc2cccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)c2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69195983 | 88492 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 465 | 6 | 2 | 5 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364397 | 88492 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 465 | 6 | 2 | 5 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69196844 | 88509 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364414 | 88509 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11647817 | 88513 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 437 | 4 | 2 | 4 | 3.7 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364418 | 88513 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 437 | 4 | 2 | 4 | 3.7 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1 | 10.6019/CHEMBL2364335 | ||
| 69196864 | 88531 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364434 | 88531 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1 | 10.6019/CHEMBL2364335 | ||
| 69198407 | 88560 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 471 | 5 | 2 | 5 | 3.6 | COc1cc(Br)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364463 | 88560 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 471 | 5 | 2 | 5 | 3.6 | COc1cc(Br)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F | 10.6019/CHEMBL2364335 | ||
| 44579958 | 190738 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 381 | 7 | 2 | 4 | 3.2 | CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL519171 | 190738 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 381 | 7 | 2 | 4 | 3.2 | CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 156020713 | 177504 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 477 | 6 | 3 | 7 | 0.7 | Cc1csc(C(=O)N[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCNC2)n1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647751 | 177504 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 477 | 6 | 3 | 7 | 0.7 | Cc1csc(C(=O)N[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCNC2)n1 | 10.1021/acs.jmedchem.0c00828 | ||
| 134139753 | 145491 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3918783 | 145491 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 44449923 | 95878 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 601 | 17 | 4 | 11 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(S(=O)(=O)CCO)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL261497 | 95878 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 601 | 17 | 4 | 11 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(S(=O)(=O)CCO)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| 156020713 | 177504 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 477 | 6 | 3 | 7 | 0.7 | Cc1csc(C(=O)N[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCNC2)n1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647751 | 177504 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 477 | 6 | 3 | 7 | 0.7 | Cc1csc(C(=O)N[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCNC2)n1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44434110 | 88070 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 515 | 13 | 3 | 9 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235135 | 88070 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 515 | 13 | 3 | 9 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL3578018 | 210012 | 0 | None | -15 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 44450102 | 95314 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 511 | 14 | 4 | 10 | 0.6 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL258550 | 95314 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 511 | 14 | 4 | 10 | 0.6 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 16114290 | 136671 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.3 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL374992 | 136671 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.3 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 11664206 | 68696 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923626 | 68696 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 9870965 | 63968 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 509 | 9 | 1 | 5 | 5.3 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181092 | 63968 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 509 | 9 | 1 | 5 | 5.3 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44434051 | 88971 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237058 | 88971 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434053 | 146313 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1cccc(NS(C)(=O)=O)c1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392522 | 146313 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1cccc(NS(C)(=O)=O)c1 | 10.1016/j.bmcl.2007.07.099 | ||
| 145988557 | 166696 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 523 | 4 | 1 | 2 | 6.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#CC3CC3)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4292914 | 166696 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 523 | 4 | 1 | 2 | 6.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#CC3CC3)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL2170775 | 207608 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44434083 | 89586 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 10 | 2 | 7 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL238155 | 89586 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 420 | 10 | 2 | 7 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44436884 | 91107 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 565 | 11 | 5 | 7 | 3.1 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL240522 | 91107 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 565 | 11 | 5 | 7 | 3.1 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 16114098 | 141067 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.4 | Cc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL385131 | 141067 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.4 | Cc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 16113246 | 94226 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252643 | 94226 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 22888486 | 63972 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 552 | 9 | 2 | 6 | 5.5 | CC(=O)Nc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)c1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181108 | 63972 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 552 | 9 | 2 | 6 | 5.5 | CC(=O)Nc1cccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)c1 | 10.1016/j.bmcl.2005.02.040 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02122 | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02122 | ||||
| 156018539 | 177225 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1NC(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4643595 | 177225 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1NC(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145949755 | 162372 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174302 | 162372 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156013970 | 176656 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 624 | 7 | 3 | 6 | 3.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4635743 | 176656 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 624 | 7 | 3 | 6 | 3.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156018539 | 177225 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1NC(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4643595 | 177225 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 571 | 7 | 2 | 7 | 2.6 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1NC(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 69197178 | 88431 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(Cl)s2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364336 | 88431 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(Cl)s2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69194396 | 88482 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 7 | 2 | 6 | 4.8 | CCOc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364387 | 88482 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 7 | 2 | 6 | 4.8 | CCOc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69195258 | 88514 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 447 | 6 | 2 | 7 | 4.0 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364419 | 88514 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 447 | 6 | 2 | 7 | 4.0 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11604627 | 88530 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364433 | 88530 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69197381 | 88548 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 486 | 6 | 2 | 7 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2cccc(C)n2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364451 | 88548 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 486 | 6 | 2 | 7 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2cccc(C)n2)s1 | 10.6019/CHEMBL2364335 | ||
| 11576185 | 88555 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2nccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364458 | 88555 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2nccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11633856 | 88581 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 453 | 6 | 2 | 7 | 3.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ncccn2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364483 | 88581 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 453 | 6 | 2 | 7 | 3.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ncccn2)cc1 | 10.6019/CHEMBL2364335 | ||
| 59007104 | 88584 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 6 | 1 | 6 | 4.8 | COc1ccc(N2C[C@H](C)N(C)[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364486 | 88584 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 6 | 1 | 6 | 4.8 | COc1ccc(N2C[C@H](C)N(C)[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2170779 | 207611 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44579824 | 183518 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL482623 | 183518 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579883 | 186245 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489403 | 186245 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579861 | 192908 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL528332 | 192908 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579906 | 192009 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL521612 | 192009 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145992125 | 166186 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 5 | 2 | 5 | 6.2 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(N)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4283504 | 166186 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 5 | 2 | 5 | 6.2 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(N)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 156016682 | 177182 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4642860 | 177182 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL2170776 | 207609 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 16752689 | 187774 | 0 | None | -5 | 3 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| CHEMBL501315 | 187774 | 0 | None | -5 | 3 | Rabbit | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1016/j.bmcl.2008.10.071 | ||
| 44444557 | 154136 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 493 | 4 | 0 | 5 | 3.7 | COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(S(=O)(=O)c1cccc(Br)c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL399704 | 154136 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 493 | 4 | 0 | 5 | 3.7 | COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(S(=O)(=O)c1cccc(Br)c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145957404 | 161488 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)c(F)cc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160261 | 161488 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)c(F)cc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 145955250 | 161962 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 4 | 4 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCOC3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167776 | 161962 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 4 | 4 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCOC3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950261 | 162167 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171137 | 162167 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156014569 | 176648 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 599 | 7 | 2 | 7 | 2.5 | CC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4635694 | 176648 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 599 | 7 | 2 | 7 | 2.5 | CC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44452776 | 95868 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 453 | 5 | 2 | 5 | 3.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL261466 | 95868 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 453 | 5 | 2 | 5 | 3.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 69196695 | 88444 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364349 | 88444 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 59007058 | 88452 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 459 | 5 | 2 | 6 | 3.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364357 | 88452 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 459 | 5 | 2 | 6 | 3.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Br)s1 | 10.6019/CHEMBL2364335 | ||
| 156016682 | 177182 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4642860 | 177182 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44579842 | 184158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1Cl | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL485091 | 184158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1Cl | 10.1016/j.bmcl.2008.07.120 | ||
| 145986461 | 166649 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4291926 | 166649 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 145950261 | 162167 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171137 | 162167 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 10602593 | 112331 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 542 | 12 | 2 | 4 | 4.1 | CCNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL330860 | 112331 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 542 | 12 | 2 | 4 | 4.1 | CCNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 44391038 | 64239 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 555 | 13 | 1 | 4 | 5.9 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCCc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181627 | 64239 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 555 | 13 | 1 | 4 | 5.9 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCCc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL2170783 | 207615 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](N)CCCCN)C(c1ccccc1)c1ccccc1)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170779 | 207611 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 156013970 | 176656 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 624 | 7 | 3 | 6 | 3.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4635743 | 176656 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 624 | 7 | 3 | 6 | 3.9 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156014569 | 176648 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 599 | 7 | 2 | 7 | 2.5 | CC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4635694 | 176648 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 599 | 7 | 2 | 7 | 2.5 | CC(=O)N1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| 56926173 | 68655 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923501 | 68655 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 134138625 | 147486 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 494 | 3 | 3 | 5 | 1.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3934561 | 147486 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 494 | 3 | 3 | 5 | 1.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 155526063 | 170459 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1174 | 34 | 16 | 14 | -2.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4456830 | 170459 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 1174 | 34 | 16 | 14 | -2.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 145957404 | 161488 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)c(F)cc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160261 | 161488 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)c(F)cc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 145955250 | 161962 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 4 | 4 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCOC3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167776 | 161962 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 4 | 4 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCOC3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44454060 | 154781 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL403180 | 154781 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 57399248 | 68687 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm1012374 | ||
| CHEMBL1923617 | 68687 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm1012374 | ||
| 145949755 | 162372 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174302 | 162372 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44434109 | 145736 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 529 | 13 | 2 | 9 | 1.8 | CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N)S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392076 | 145736 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 529 | 13 | 2 | 9 | 1.8 | CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N)S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 9890375 | 97805 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL274599 | 97805 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL558802 | 97805 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44436876 | 146474 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 580 | 11 | 4 | 7 | 4.6 | COc1ccc(N2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL392663 | 146474 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 580 | 11 | 4 | 7 | 4.6 | COc1ccc(N2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 9890375 | 97805 | 0 | None | -1 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL274599 | 97805 | 0 | None | -1 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL558802 | 97805 | 0 | None | -1 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| 9890375 | 97805 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL274599 | 97805 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL558802 | 97805 | 0 | None | 1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44281466 | 168805 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 436 | 8 | 2 | 4 | 2.9 | Cc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL442151 | 168805 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 436 | 8 | 2 | 4 | 2.9 | Cc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 162672839 | 182430 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 681 | 14 | 3 | 7 | 5.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4793824 | 182430 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 681 | 14 | 3 | 7 | 5.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 22888428 | 64004 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 508 | 9 | 2 | 4 | 4.9 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)NC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181247 | 64004 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 508 | 9 | 2 | 4 | 4.9 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)NC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 23730227 | 147329 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 477 | 15 | 4 | 10 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCCO | 10.1021/jm7010595 | ||
| CHEMBL393330 | 147329 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 477 | 15 | 4 | 10 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCCO | 10.1021/jm7010595 | ||
| 44450133 | 159834 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 481 | 13 | 3 | 10 | -0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCS(C)(=O)=O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL411122 | 159834 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 481 | 13 | 3 | 10 | -0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCS(C)(=O)=O | 10.1016/j.bmcl.2008.03.059 | ||
| 44579821 | 183636 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1ccccc1Cl | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL483455 | 183636 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1ccccc1Cl | 10.1016/j.bmcl.2008.07.120 | ||
| 44579879 | 186402 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490627 | 186402 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44450071 | 96124 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 489 | 15 | 3 | 10 | 0.6 | CCOC(=O)CCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL263141 | 96124 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 489 | 15 | 3 | 10 | 0.6 | CCOC(=O)CCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| 16113906 | 136686 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 612 | 12 | 5 | 5 | 6.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL375102 | 136686 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 612 | 12 | 5 | 5 | 6.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| 44579752 | 186367 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 377 | 8 | 1 | 4 | 3.7 | CCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(CC#N)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490390 | 186367 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 377 | 8 | 1 | 4 | 3.7 | CCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(CC#N)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44436887 | 90514 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 563 | 11 | 5 | 6 | 3.7 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL239464 | 90514 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 563 | 11 | 5 | 6 | 3.7 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44434076 | 89333 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 513 | 10 | 2 | 9 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC1CN(S(C)(=O)=O)c2ccccc21 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237717 | 89333 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 513 | 10 | 2 | 9 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC1CN(S(C)(=O)=O)c2ccccc21 | 10.1016/j.bmcl.2007.07.099 | ||
| 145952740 | 161939 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167481 | 161939 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 23648250 | 78738 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 585 | 10 | 4 | 5 | 6.0 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113327 | 78738 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 585 | 10 | 4 | 5 | 6.0 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| 16113577 | 84498 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 573 | 12 | 4 | 5 | 5.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL223725 | 84498 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 573 | 12 | 4 | 5 | 5.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| 162657465 | 180449 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 652 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4759418 | 180449 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 652 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44444574 | 93573 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 3.8 | COc1cc2c(cc1N1CCNC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL248746 | 93573 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 484 | 5 | 1 | 7 | 3.8 | COc1cc2c(cc1N1CCNC(C)(C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145952740 | 161939 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167481 | 161939 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 11532288 | 96459 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 6 | 2 | 7 | 2.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-n2cccn2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL265950 | 96459 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 441 | 6 | 2 | 7 | 2.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-n2cccn2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 11576186 | 154674 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL402632 | 154674 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44570964 | 183289 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 407 | 4 | 1 | 5 | 1.7 | Cc1ccc(-c2ccc(S(=O)(=O)N3CC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481014 | 183289 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 407 | 4 | 1 | 5 | 1.7 | Cc1ccc(-c2ccc(S(=O)(=O)N3CC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 44570921 | 183363 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 2.5 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481601 | 183363 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 2.5 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 59007073 | 88432 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 442 | 6 | 2 | 7 | 3.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)nc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364337 | 88432 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 442 | 6 | 2 | 7 | 3.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)nc1 | 10.6019/CHEMBL2364335 | ||
| 69197749 | 88441 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364346 | 88441 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11682796 | 88443 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 401 | 6 | 2 | 5 | 3.3 | COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364348 | 88443 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 401 | 6 | 2 | 5 | 3.3 | COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69198460 | 88455 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(Cl)c1Cl | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364360 | 88455 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(Cl)c1Cl | 10.6019/CHEMBL2364335 | ||
| 69198360 | 88463 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 466 | 6 | 2 | 6 | 4.1 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364368 | 88463 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 466 | 6 | 2 | 6 | 4.1 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)n3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11683967 | 88475 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2cccs2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364380 | 88475 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2cccs2)c1 | 10.6019/CHEMBL2364335 | ||
| 69195261 | 88483 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 7 | 2 | 6 | 5.2 | CC(C)Oc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364388 | 88483 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 7 | 2 | 6 | 5.2 | CC(C)Oc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11516766 | 88487 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 395 | 4 | 2 | 4 | 3.8 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364392 | 88487 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 395 | 4 | 2 | 4 | 3.8 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11525161 | 88544 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 447 | 5 | 2 | 5 | 4.2 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)c(F)c3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364447 | 88544 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 447 | 5 | 2 | 5 | 4.2 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)c(F)c3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69194533 | 88574 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 477 | 6 | 2 | 6 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(F)c(-c2ccco2)cc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364476 | 88574 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 477 | 6 | 2 | 6 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(F)c(-c2ccco2)cc1F | 10.6019/CHEMBL2364335 | ||
| 69197165 | 88586 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 5 | 3 | 6 | 3.6 | C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364488 | 88586 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 427 | 5 | 3 | 6 | 3.6 | C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 44579777 | 186391 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490601 | 186391 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44454432 | 154707 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL402808 | 154707 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44434112 | 168283 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL438154 | 168283 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44579908 | 186281 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489610 | 186281 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145954311 | 161924 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167267 | 161924 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44434124 | 88216 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 343 | 8 | 2 | 8 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC#N)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235817 | 88216 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 343 | 8 | 2 | 8 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC#N)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 162659161 | 180799 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 642 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4763471 | 180799 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 642 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44444556 | 93953 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 6 | 0 | 5 | 4.4 | CCOc1ccc(CC(=O)N2CCc3cc(OC)c(N4C[C@H](C)N(C)[C@H](C)C4)cc32)cc1Cl | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL250973 | 93953 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 6 | 0 | 5 | 4.4 | CCOc1ccc(CC(=O)N2CCc3cc(OC)c(N4C[C@H](C)N(C)[C@H](C)C4)cc32)cc1Cl | 10.1016/j.bmcl.2007.09.067 | ||
| 145950963 | 162244 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172411 | 162244 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145952396 | 162441 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175534 | 162441 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| 156011695 | 176771 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 585 | 8 | 2 | 7 | 2.2 | O=CN1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637585 | 176771 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 585 | 8 | 2 | 7 | 2.2 | O=CN1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44452887 | 159019 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 6 | 2 | 5 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL410282 | 159019 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 6 | 2 | 5 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| 46882522 | 5621 | 0 | None | -39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 440 | 7 | 2 | 5 | 3.6 | CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078208 | 5621 | 0 | None | -39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 440 | 7 | 2 | 5 | 3.6 | CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 69195349 | 88466 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 453 | 5 | 2 | 5 | 3.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(Br)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364371 | 88466 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 453 | 5 | 2 | 5 | 3.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(Br)c1 | 10.6019/CHEMBL2364335 | ||
| 69198352 | 88587 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 6 | 2 | 6 | 4.0 | COc1ccc(N2CCN[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364489 | 88587 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 443 | 6 | 2 | 6 | 4.0 | COc1ccc(N2CCN[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 44446188 | 154840 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL403542 | 154840 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 145954311 | 161924 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167267 | 161924 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 46882521 | 5620 | 0 | None | -158 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 458 | 6 | 2 | 4 | 4.5 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078207 | 5620 | 0 | None | -158 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 458 | 6 | 2 | 4 | 4.5 | O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44445620 | 154128 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 571 | 11 | 2 | 6 | 6.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL399651 | 154128 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 571 | 11 | 2 | 6 | 6.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 22862453 | 97994 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 490 | 5 | 4 | 5 | 2.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(O)c1ccccc1O2 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL275795 | 97994 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 490 | 5 | 4 | 5 | 2.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(O)c1ccccc1O2 | 10.1016/s0960-894x(97)10199-8 | ||
| 10675061 | 96083 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 598 | 13 | 2 | 5 | 4.3 | CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CCCO1 | 10.1021/jm980197u | ||
| CHEMBL262889 | 96083 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 598 | 13 | 2 | 5 | 4.3 | CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CCCO1 | 10.1021/jm980197u | ||
| 10026738 | 162207 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL417182 | 162207 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL557206 | 162207 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 56926464 | 68682 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O | nan | ||
| CHEMBL1923612 | 68682 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O | nan | ||
| 155540883 | 172378 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4517399 | 172378 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 10210658 | 10213 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 593 | 13 | 5 | 5 | 3.6 | NCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162064 | 10213 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 593 | 13 | 5 | 5 | 3.6 | NCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| 145952396 | 162441 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175534 | 162441 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL2170784 | 207616 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 134139080 | 147138 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| CHEMBL3931856 | 147138 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| 156011695 | 176771 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 585 | 8 | 2 | 7 | 2.2 | O=CN1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637585 | 176771 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 585 | 8 | 2 | 7 | 2.2 | O=CN1CCC[C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2NC(=O)c2cc(-c3ccccc3Cl)on2)C1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL2170697 | 207602 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44434080 | 89467 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434080 | 89467 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL237933 | 89467 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237933 | 89467 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 10210658 | 10213 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 593 | 13 | 5 | 5 | 3.6 | NCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162064 | 10213 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 593 | 13 | 5 | 5 | 3.6 | NCCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1 | 10.1016/j.bmc.2007.01.057 | ||
| 10026738 | 162207 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL417182 | 162207 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL557206 | 162207 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 10530983 | 167810 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 564 | 11 | 2 | 4 | 4.0 | CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL434609 | 167810 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 564 | 11 | 2 | 4 | 4.0 | CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 44391003 | 122792 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 5.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1F)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL361612 | 122792 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 5.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1F)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL2170780 | 207612 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 145950963 | 162244 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172411 | 162244 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 127047409 | 139088 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 888 | 24 | 8 | 10 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797639 | 139088 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 888 | 24 | 8 | 10 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 10745533 | 139577 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL380096 | 139577 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 44437971 | 200824 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 3.9 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL611489 | 200824 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 3.9 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| 16113693 | 137476 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 589 | 12 | 4 | 6 | 5.6 | COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL376471 | 137476 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 589 | 12 | 4 | 6 | 5.6 | COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| 11692516 | 68691 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 554 | 3 | 3 | 5 | 3.1 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923621 | 68691 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 554 | 3 | 3 | 5 | 3.1 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 155557019 | 174005 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4556887 | 174005 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 9810101 | 98779 | 12 | None | -5 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL281764 | 98779 | 12 | None | -5 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 10745533 | 139577 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL380096 | 139577 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 44437971 | 200824 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 3.9 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL611489 | 200824 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 3.9 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| 44579909 | 186310 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489819 | 186310 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44436882 | 145471 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 524 | 10 | 4 | 6 | 4.2 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1ccco1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL391859 | 145471 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 524 | 10 | 4 | 6 | 4.2 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1ccco1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL2170698 | 207603 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44434122 | 89067 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 385 | 11 | 2 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCCC#N)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237302 | 89067 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 385 | 11 | 2 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCCC#N)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 145992142 | 166207 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 475 | 4 | 2 | 3 | 5.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(O)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4283858 | 166207 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 475 | 4 | 2 | 3 | 5.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(O)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL3578006 | 210003 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm501702q | ||||
| 145953016 | 162025 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4168863 | 162025 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44454304 | 97141 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL270876 | 97141 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454092 | 97187 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL271082 | 97187 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454338 | 97373 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL272085 | 97373 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 22867310 | 29812 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 474 | 5 | 4 | 4 | 2.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1C2O | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13891 | 29812 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 474 | 5 | 4 | 4 | 2.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1C2O | 10.1016/s0960-894x(97)10199-8 | ||
| 162653802 | 179939 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 656 | 15 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CCc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4753592 | 179939 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 656 | 15 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CCc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44436886 | 161394 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 595 | 12 | 5 | 8 | 3.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL415674 | 161394 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 595 | 12 | 5 | 8 | 3.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 9987037 | 11912 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183385 | 11912 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL294324 | 11912 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 44391008 | 64521 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 481 | 9 | 1 | 5 | 4.6 | CCN(CC)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL182137 | 64521 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 481 | 9 | 1 | 5 | 4.6 | CCN(CC)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 22888379 | 167739 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 12 | 2 | 5 | 4.8 | CC(=O)NC(C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL434152 | 167739 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 12 | 2 | 5 | 4.8 | CC(=O)NC(C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 | 10.1016/j.bmcl.2005.02.040 | ||
| 44444564 | 94023 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 478 | 5 | 1 | 6 | 3.7 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1cccc(-c3ccccn3)c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL251366 | 94023 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 478 | 5 | 1 | 6 | 3.7 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1cccc(-c3ccccn3)c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145961213 | 161602 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 446 | 4 | 3 | 4 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@H]3COCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4162174 | 161602 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 446 | 4 | 3 | 4 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@H]3COCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145953016 | 162025 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4168863 | 162025 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145949595 | 162162 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171040 | 162162 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145974293 | 162462 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175823 | 162462 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44452929 | 97081 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccco2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL270573 | 97081 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccco2)c1 | 10.1016/j.bmcl.2007.12.021 | ||
| 46882396 | 5752 | 0 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc(C)[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079187 | 5752 | 0 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc(C)[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570698 | 183366 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 456 | 5 | 2 | 5 | 2.0 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481619 | 183366 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 456 | 5 | 2 | 5 | 2.0 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 24969292 | 88435 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 444 | 5 | 2 | 6 | 3.8 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccn3)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364340 | 88435 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 444 | 5 | 2 | 6 | 3.8 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccn3)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| 69194665 | 88468 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 476 | 6 | 2 | 7 | 3.9 | COc1cc(F)c(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364373 | 88468 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 476 | 6 | 2 | 7 | 3.9 | COc1cc(F)c(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.6019/CHEMBL2364335 | ||
| 11524465 | 88488 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 4.0 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364393 | 88488 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 4.0 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11576404 | 88499 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 5 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364404 | 88499 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 5 | 4.5 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69194865 | 88518 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 409 | 4 | 2 | 4 | 4.1 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2ccccc12 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364422 | 88518 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 409 | 4 | 2 | 4 | 4.1 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2ccccc12 | 10.6019/CHEMBL2364335 | ||
| 11712498 | 88532 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2F)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364435 | 88532 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 469 | 6 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2F)cc1 | 10.6019/CHEMBL2364335 | ||
| 69195296 | 88537 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 463 | 5 | 2 | 5 | 4.7 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3F)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364440 | 88537 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 463 | 5 | 2 | 5 | 4.7 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3F)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11518242 | 88540 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.9 | Cc1cc(-c2cccs2)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364443 | 88540 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.9 | Cc1cc(-c2cccs2)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F | 10.6019/CHEMBL2364335 | ||
| 69197366 | 88545 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 463 | 5 | 2 | 5 | 4.7 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3Cl)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364448 | 88545 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 463 | 5 | 2 | 5 | 4.7 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3Cl)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11503413 | 88562 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 454 | 6 | 2 | 6 | 3.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccn2C)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364465 | 88562 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 454 | 6 | 2 | 6 | 3.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccn2C)cc1 | 10.6019/CHEMBL2364335 | ||
| 11647900 | 88568 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1cc(-c2ccco2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364470 | 88568 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1cc(-c2ccco2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 | 10.6019/CHEMBL2364335 | ||
| 11669734 | 88569 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1cc(-c2cccs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364471 | 88569 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1cc(-c2cccs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 | 10.6019/CHEMBL2364335 | ||
| 44391007 | 64520 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 480 | 9 | 1 | 4 | 4.1 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)N(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL182136 | 64520 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 480 | 9 | 1 | 4 | 4.1 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)N(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 145994050 | 166780 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 615 | 6 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4294493 | 166780 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 615 | 6 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 156016392 | 177062 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641386 | 177062 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL3578006 | 210003 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm501702q | ||||
| 25098836 | 190852 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL519322 | 190852 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145957574 | 161739 | 0 | None | 57 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164328 | 161739 | 0 | None | 57 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44411745 | 10196 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161827 | 10196 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 10626337 | 100742 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL295984 | 100742 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| 156013219 | 176905 | 0 | None | 60 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639379 | 176905 | 0 | None | 60 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 22888352 | 63591 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 537 | 11 | 1 | 6 | 4.9 | CC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180659 | 63591 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 537 | 11 | 1 | 6 | 4.9 | CC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 22888352 | 63591 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 537 | 11 | 1 | 6 | 4.9 | CC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180659 | 63591 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 537 | 11 | 1 | 6 | 4.9 | CC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 10649999 | 16910 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 534 | 11 | 2 | 5 | 3.8 | CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL125498 | 16910 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 534 | 11 | 2 | 5 | 3.8 | CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 156015928 | 176997 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640615 | 176997 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156012445 | 176751 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637284 | 176751 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44411634 | 10193 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161824 | 10193 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44411634 | 10193 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161824 | 10193 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44390986 | 64323 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 12 | 1 | 5 | 5.2 | COc1ccccc1CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181832 | 64323 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 12 | 1 | 5 | 5.2 | COc1ccccc1CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL2170695 | 207600 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 156011766 | 176724 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 569 | 6 | 2 | 7 | 2.2 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N1C[C@H]2CCNC[C@H]21)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636780 | 176724 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 569 | 6 | 2 | 7 | 2.2 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N1C[C@H]2CCNC[C@H]21)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44281449 | 112882 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 559 | 12 | 4 | 7 | 1.4 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)CC(=O)O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL33182 | 112882 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 559 | 12 | 4 | 7 | 1.4 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)CC(=O)O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44281449 | 112882 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 559 | 12 | 4 | 7 | 1.4 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)CC(=O)O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL33182 | 112882 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 559 | 12 | 4 | 7 | 1.4 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)CC(=O)O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 23648249 | 78737 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 557 | 9 | 4 | 5 | 5.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL2113326 | 78737 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 557 | 9 | 4 | 5 | 5.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 10166594 | 64290 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 563 | 8 | 1 | 5 | 6.6 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181786 | 64290 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 563 | 8 | 1 | 5 | 6.6 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44391010 | 64528 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 541 | 9 | 1 | 6 | 6.3 | CSc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL182158 | 64528 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 541 | 9 | 1 | 6 | 6.3 | CSc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| 23648244 | 91568 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241775 | 91568 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| 155557019 | 174005 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4556887 | 174005 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 44444565 | 94051 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 474 | 5 | 1 | 8 | 3.4 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccon3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL251573 | 94051 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 474 | 5 | 1 | 8 | 3.4 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccon3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145957075 | 161717 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164040 | 161717 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44411745 | 10196 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161827 | 10196 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 156013684 | 176681 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636178 | 176681 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156011766 | 176724 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 569 | 6 | 2 | 7 | 2.2 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N1C[C@H]2CCNC[C@H]21)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636780 | 176724 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 569 | 6 | 2 | 7 | 2.2 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N1C[C@H]2CCNC[C@H]21)c1cc(-c2ccccc2Cl)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11539642 | 97466 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 6 | 2 | 8 | 3.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnco2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL272540 | 97466 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 6 | 2 | 8 | 3.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnco2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44570702 | 183244 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 463 | 4 | 1 | 5 | 3.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3C[C@H](C)N[C@H](C)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL480639 | 183244 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 463 | 4 | 1 | 5 | 3.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3C[C@H](C)N[C@H](C)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 11683968 | 88474 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364379 | 88474 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccsc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69197883 | 88497 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2F)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364402 | 88497 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2F)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69195597 | 88510 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2Cl)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364415 | 88510 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2Cl)s1 | 10.6019/CHEMBL2364335 | ||
| 59007081 | 88524 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 5.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(Cl)c2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364428 | 88524 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 5.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(Cl)c2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11648834 | 88579 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364481 | 88579 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1F | 10.6019/CHEMBL2364335 | ||
| 44411753 | 10198 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161829 | 10198 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44411753 | 10198 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161829 | 10198 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 10415000 | 167493 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 543 | 11 | 3 | 6 | 2.7 | CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL432461 | 167493 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 543 | 11 | 3 | 6 | 2.7 | CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 156013684 | 176681 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636178 | 176681 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 571 | 7 | 3 | 7 | 2.6 | Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 10415000 | 167493 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 543 | 11 | 3 | 6 | 2.7 | CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL432461 | 167493 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 543 | 11 | 3 | 6 | 2.7 | CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 156019457 | 177358 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645625 | 177358 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44449922 | 95761 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 615 | 17 | 3 | 11 | 1.0 | CN(CCc1cccc(S(=O)(=O)CCO)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL260849 | 95761 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 615 | 17 | 3 | 11 | 1.0 | CN(CCc1cccc(S(=O)(=O)CCO)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| 44269019 | 97761 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 474 | 5 | 3 | 4 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CCc3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL274340 | 97761 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 474 | 5 | 3 | 4 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CCc3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 44579840 | 184156 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL485090 | 184156 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579907 | 186455 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL491044 | 186455 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579805 | 186473 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL491221 | 186473 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44434113 | 88207 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 452 | 10 | 2 | 9 | 1.5 | COC(=O)C(c1ccccc1)n1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235793 | 88207 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 452 | 10 | 2 | 9 | 1.5 | COC(=O)C(c1ccccc1)n1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 127048060 | 139318 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 789 | 20 | 6 | 10 | 5.4 | COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799222 | 139318 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 789 | 20 | 6 | 10 | 5.4 | COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 57399248 | 68687 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923617 | 68687 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 44268965 | 23843 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 472 | 5 | 3 | 4 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(Cc3ccccc3C2=O)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13383 | 23843 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 472 | 5 | 3 | 4 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(Cc3ccccc3C2=O)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 10675800 | 113282 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 654 | 11 | 2 | 4 | 4.3 | CNC(=O)[C@@H](Cc1ccc(I)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL332414 | 113282 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 654 | 11 | 2 | 4 | 4.3 | CNC(=O)[C@@H](Cc1ccc(I)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 44391002 | 123379 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 507 | 10 | 1 | 4 | 5.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL362798 | 123379 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 507 | 10 | 1 | 4 | 5.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44579857 | 186331 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490009 | 186331 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44434018 | 88050 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 399 | 8 | 3 | 8 | 0.9 | COC(=O)CCn1nnnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235012 | 88050 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 399 | 8 | 3 | 8 | 0.9 | COC(=O)CCn1nnnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 44579641 | 186304 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 7 | 1 | 4 | 4.0 | CSc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489794 | 186304 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 7 | 1 | 4 | 4.0 | CSc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579996 | 186543 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 367 | 7 | 2 | 4 | 2.8 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL491835 | 186543 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 367 | 7 | 2 | 4 | 2.8 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579919 | 190745 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 9 | 1 | 4 | 5.3 | CCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(-c2ccccc2)c1OC | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL519196 | 190745 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 444 | 9 | 1 | 4 | 5.3 | CCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(-c2ccccc2)c1OC | 10.1016/j.bmcl.2008.07.120 | ||
| 44454092 | 97187 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL271082 | 97187 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44450070 | 158093 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 461 | 14 | 4 | 9 | 0.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCC(=O)O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL409258 | 158093 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 461 | 14 | 4 | 9 | 0.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCC(=O)O | 10.1016/j.bmcl.2008.03.059 | ||
| 156016392 | 177062 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641386 | 177062 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145961213 | 161602 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 446 | 4 | 3 | 4 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@H]3COCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4162174 | 161602 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 446 | 4 | 3 | 4 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@H]3COCCN(C)C3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145949595 | 162162 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171040 | 162162 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145974293 | 162462 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175823 | 162462 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44390905 | 64111 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 544 | 10 | 1 | 6 | 3.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)N(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181337 | 64111 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 544 | 10 | 1 | 6 | 3.4 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)N(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44391040 | 64115 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 577 | 10 | 1 | 6 | 5.0 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181352 | 64115 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 577 | 10 | 1 | 6 | 5.0 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 10579444 | 113731 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 598 | 13 | 2 | 5 | 4.3 | CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CCCO1 | 10.1021/jm980197u | ||
| CHEMBL332987 | 113731 | 0 | None | - | 1 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 598 | 13 | 2 | 5 | 4.3 | CN(C(=O)/C=C/CC(C)(C)N)[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CCCO1 | 10.1021/jm980197u | ||
| 162645413 | 179136 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 677 | 14 | 3 | 7 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4744051 | 179136 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 677 | 14 | 3 | 7 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44293091 | 187593 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL49884 | 187593 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 16114011 | 137597 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 5.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| CHEMBL376736 | 137597 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 5.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| 145981343 | 166145 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 669 | 6 | 1 | 6 | 7.6 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@H](c3ccc(-c4cnccn4)c(Cl)c3Cl)C(F)(F)F)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4282719 | 166145 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 669 | 6 | 1 | 6 | 7.6 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@H](c3ccc(-c4cnccn4)c(Cl)c3Cl)C(F)(F)F)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44391048 | 62604 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 5 | 4.2 | CC(C)NCCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL178502 | 62604 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 5 | 4.2 | CC(C)NCCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44454399 | 154588 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC(C#N)Cc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL402086 | 154588 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC(C#N)Cc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44293091 | 187593 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL49884 | 187593 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 155540883 | 172378 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4517399 | 172378 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 44579801 | 186568 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL492028 | 186568 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 168276220 | 189817 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 261 | 6 | 1 | 1 | 4.2 | CCCCCCCc1cc(=O)c2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL5177954 | 189817 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 261 | 6 | 1 | 1 | 4.2 | CCCCCCCc1cc(=O)c2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.1c02191 | ||
| 145958774 | 161704 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163811 | 161704 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950877 | 162433 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175360 | 162433 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44450135 | 158145 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 493 | 14 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL409327 | 158145 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 493 | 14 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| 44454302 | 158821 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL410060 | 158821 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| 16203237 | 96490 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 496 | 10 | 3 | 6 | 4.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1 | 10.1021/jm070024h | ||
| CHEMBL266199 | 96490 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 496 | 10 | 3 | 6 | 4.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1 | 10.1021/jm070024h | ||
| 56926462 | 68680 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923610 | 68680 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 162660604 | 180627 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 700 | 15 | 3 | 9 | 5.0 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCN3CCCCC3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4761319 | 180627 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 700 | 15 | 3 | 9 | 5.0 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCN3CCCCC3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 145956753 | 161596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4162000 | 161596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44446190 | 94107 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL251855 | 94107 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44446189 | 154823 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL403426 | 154823 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 10744738 | 16013 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1cccc2ccccc12)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL122420 | 16013 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1cccc2ccccc12)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL2170699 | 207604 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44454432 | 154707 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL402808 | 154707 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454397 | 154972 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC(C#N)Cc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404227 | 154972 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC(C#N)Cc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 145949381 | 162153 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170865 | 162153 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 22862431 | 30255 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 474 | 5 | 3 | 4 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc3O2)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13930 | 30255 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 474 | 5 | 3 | 4 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc3O2)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| 162653781 | 179890 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 732 | 15 | 4 | 8 | 6.2 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3c[nH]c4ccccc34)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4753046 | 179890 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 732 | 15 | 4 | 8 | 6.2 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3c[nH]c4ccccc34)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 156013764 | 176687 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 585 | 7 | 1 | 7 | 3.0 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1N(C)C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636229 | 176687 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 585 | 7 | 1 | 7 | 3.0 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1N(C)C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145958317 | 161751 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164531 | 161751 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145949381 | 162153 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170865 | 162153 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950877 | 162433 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175360 | 162433 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156013764 | 176687 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 585 | 7 | 1 | 7 | 3.0 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1N(C)C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636229 | 176687 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 585 | 7 | 1 | 7 | 3.0 | CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1N(C)C(=O)c1cc(-c2ccccc2Cl)on1)[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156020452 | 177450 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 523 | 6 | 4 | 5 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@]3(C)C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4646979 | 177450 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 523 | 6 | 4 | 5 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@]3(C)C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 24969201 | 88439 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 476 | 6 | 2 | 7 | 4.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364344 | 88439 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 476 | 6 | 2 | 7 | 4.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| 69197403 | 88464 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364369 | 88464 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1 | 10.6019/CHEMBL2364335 | ||
| 59007071 | 88478 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 5 | 3 | 7 | 3.5 | C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364383 | 88478 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 5 | 3 | 7 | 3.5 | C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11547135 | 88491 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 461 | 5 | 2 | 5 | 5.1 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364396 | 88491 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 461 | 5 | 2 | 5 | 5.1 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11567764 | 88495 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 5 | 2 | 6 | 2.9 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-n4cccn4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364400 | 88495 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 411 | 5 | 2 | 6 | 2.9 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-n4cccn4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11511157 | 88505 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2C)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364410 | 88505 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2C)s1 | 10.6019/CHEMBL2364335 | ||
| 11547599 | 88507 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2ccc(-c3c(C)cccc3C)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364412 | 88507 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 5.0 | COc1ccc(NS(=O)(=O)c2ccc(-c3c(C)cccc3C)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69197133 | 88517 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364421 | 88517 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 477 | 6 | 2 | 7 | 4.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)s1 | 10.6019/CHEMBL2364335 | ||
| 69197849 | 88542 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 429 | 5 | 2 | 5 | 4.1 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364445 | 88542 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 429 | 5 | 2 | 5 | 4.1 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccoc4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69198350 | 88549 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 6 | 2 | 9 | 3.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csnn2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364452 | 88549 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 6 | 2 | 9 | 3.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csnn2)s1 | 10.6019/CHEMBL2364335 | ||
| 156020452 | 177450 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 523 | 6 | 4 | 5 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@]3(C)C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4646979 | 177450 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 523 | 6 | 4 | 5 | 2.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@]3(C)C(=O)N[C@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44579860 | 188304 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL507551 | 188304 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145956415 | 161502 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160541 | 161502 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956415 | 161502 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160541 | 161502 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956753 | 161596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4162000 | 161596 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145958774 | 161704 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163811 | 161704 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145955718 | 161973 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167965 | 161973 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145952404 | 162174 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171300 | 162174 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL3578014 | 210008 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 44436816 | 91359 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 524 | 12 | 4 | 6 | 3.9 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCN)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241242 | 91359 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 524 | 12 | 4 | 6 | 3.9 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCN)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44391028 | 63952 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 451 | 9 | 1 | 4 | 3.9 | CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181051 | 63952 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 451 | 9 | 1 | 4 | 3.9 | CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44390906 | 131568 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 467 | 7 | 2 | 5 | 4.2 | CC(C)(CN)CNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL369571 | 131568 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 467 | 7 | 2 | 5 | 4.2 | CC(C)(CN)CNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44434052 | 88972 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccc(NS(C)(=O)=O)cc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237059 | 88972 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccc(NS(C)(=O)=O)cc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44450169 | 159191 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 471 | 12 | 3 | 8 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCC(F)(F)F | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL410499 | 159191 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 471 | 12 | 3 | 8 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCC(F)(F)F | 10.1016/j.bmcl.2008.03.059 | ||
| 56926894 | 68707 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923638 | 68707 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 44391027 | 128268 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 12 | 1 | 4 | 5.6 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL366916 | 128268 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 12 | 1 | 4 | 5.6 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CCc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44579803 | 186177 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL488966 | 186177 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145952404 | 162174 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171300 | 162174 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL3578014 | 210008 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 11526696 | 71243 | 13 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm1012374 | ||
| CHEMBL1923502 | 71243 | 13 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm1012374 | ||
| CHEMBL1963249 | 71243 | 13 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm1012374 | ||
| 44450045 | 158678 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 447 | 14 | 4 | 9 | 0.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL409894 | 158678 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 447 | 14 | 4 | 9 | 0.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 44434012 | 88631 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 479 | 13 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236513 | 88631 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 479 | 13 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44454398 | 97136 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(C#N)c1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL270851 | 97136 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(C#N)c1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 11526745 | 68711 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923642 | 68711 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 44391020 | 63518 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 543 | 11 | 1 | 5 | 5.7 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OCc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180337 | 63518 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 543 | 11 | 1 | 5 | 5.7 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OCc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 162643920 | 181188 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 679 | 14 | 4 | 8 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4777792 | 181188 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 679 | 14 | 4 | 8 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 155540883 | 172378 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4517399 | 172378 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 145955718 | 161973 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167965 | 161973 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 23648236 | 78727 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 524 | 13 | 3 | 7 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL2113317 | 78727 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 524 | 13 | 3 | 7 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1 | 10.1021/jm0704550 | ||
| 145958317 | 161751 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164531 | 161751 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 162649014 | 179351 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 702 | 14 | 4 | 7 | 6.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4746362 | 179351 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 702 | 14 | 4 | 7 | 6.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44434123 | 145005 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 343 | 8 | 2 | 8 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC#N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL391510 | 145005 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 343 | 8 | 2 | 8 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC#N | 10.1016/j.bmcl.2007.07.099 | ||
| 11526696 | 71243 | 13 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923502 | 71243 | 13 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1963249 | 71243 | 13 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 122178179 | 120737 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1002 | 29 | 10 | 9 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| CHEMBL3578008 | 120737 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1002 | 29 | 10 | 9 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| 145980382 | 166079 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4281310 | 166079 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 134149793 | 148061 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CC)C1=O | nan | ||
| CHEMBL3939196 | 148061 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CC)C1=O | nan | ||
| 145980333 | 166017 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 577 | 6 | 1 | 4 | 7.5 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4280040 | 166017 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 577 | 6 | 1 | 4 | 7.5 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44579823 | 183489 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL482420 | 183489 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145957075 | 161717 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164040 | 161717 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145951150 | 162214 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171914 | 162214 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 44449864 | 158272 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 539 | 16 | 4 | 10 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1cccc(C(=O)NCCCCO)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL409462 | 158272 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 539 | 16 | 4 | 10 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1cccc(C(=O)NCCCCO)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| 10005618 | 10210 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 485 | 11 | 1 | 3 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162058 | 10210 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 485 | 11 | 1 | 3 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| 15481181 | 77376 | 2 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL209020 | 77376 | 2 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| 9810101 | 98779 | 12 | None | 5 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL281764 | 98779 | 12 | None | 5 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 15481188 | 140666 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL382844 | 140666 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL130229 | 206935 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCOC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||||
| 16114292 | 96473 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL266063 | 96473 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| 16114292 | 96473 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL266063 | 96473 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 23730225 | 153630 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 435 | 12 | 4 | 10 | -0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCO | 10.1021/jm7010595 | ||
| CHEMBL398570 | 153630 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 435 | 12 | 4 | 10 | -0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCO | 10.1021/jm7010595 | ||
| 10530781 | 15387 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 554 | 12 | 2 | 4 | 4.2 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL122108 | 15387 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 554 | 12 | 2 | 4 | 4.2 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 10005618 | 10210 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 485 | 11 | 1 | 3 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162058 | 10210 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 485 | 11 | 1 | 3 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1 | 10.1016/j.bmc.2007.01.057 | ||
| 15481181 | 77376 | 2 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL209020 | 77376 | 2 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| 9810101 | 98779 | 12 | None | 5 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL281764 | 98779 | 12 | None | 5 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 15481188 | 140666 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL382844 | 140666 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL130229 | 206935 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCOC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||||
| 156011385 | 176794 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 518 | 8 | 3 | 5 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCCCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637916 | 176794 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 518 | 8 | 3 | 5 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCCCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44449956 | 96154 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 523 | 14 | 3 | 9 | 2.0 | CN(CCc1cccc(O)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL263389 | 96154 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 523 | 14 | 3 | 9 | 2.0 | CN(CCc1cccc(O)c1)C(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| 44447846 | 94445 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 547 | 15 | 4 | 11 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1cccc(OC(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254166 | 94445 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 547 | 15 | 4 | 11 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1cccc(OC(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44444566 | 154217 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1N1CCN[C@@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL400124 | 154217 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1N1CCN[C@@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 156011385 | 176794 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 518 | 8 | 3 | 5 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCCCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637916 | 176794 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 518 | 8 | 3 | 5 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCCCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156019457 | 177358 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645625 | 177358 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44570961 | 191952 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 4 | 1 | 5 | 2.2 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)c(F)c2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL521246 | 191952 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 4 | 1 | 5 | 2.2 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)c(F)c2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 69195095 | 88521 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)c(F)c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364425 | 88521 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccs3)c(F)c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69194503 | 88557 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364460 | 88557 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 491 | 6 | 2 | 6 | 5.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| 59007103 | 88583 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 456 | 6 | 2 | 7 | 3.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cn1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364485 | 88583 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 456 | 6 | 2 | 7 | 3.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cn1 | 10.6019/CHEMBL2364335 | ||
| 69197358 | 88589 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 459 | 5 | 3 | 6 | 4.1 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3O)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364491 | 88589 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 459 | 5 | 3 | 6 | 4.1 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3O)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| 44450046 | 95399 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 501 | 14 | 4 | 9 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCN1CCNC1=O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL259016 | 95399 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 501 | 14 | 4 | 9 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCN1CCNC1=O | 10.1016/j.bmcl.2008.03.059 | ||
| 23730341 | 89298 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 502 | 11 | 3 | 10 | 0.1 | CC(=O)N[C@@H]1CCN(C(=O)OCCn2nnnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1 | 10.1021/jm7010595 | ||
| CHEMBL237701 | 89298 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 502 | 11 | 3 | 10 | 0.1 | CC(=O)N[C@@H]1CCN(C(=O)OCCn2nnnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1 | 10.1021/jm7010595 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44390914 | 63292 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 4.9 | CCCOC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180093 | 63292 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 4.9 | CCCOC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 22888424 | 122469 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 541 | 11 | 1 | 4 | 5.7 | CC(C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL360877 | 122469 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 541 | 11 | 1 | 4 | 5.7 | CC(C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 | 10.1016/j.bmcl.2005.02.040 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 162671996 | 182239 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 707 | 16 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4791255 | 182239 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 707 | 16 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 23730228 | 89148 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 477 | 14 | 3 | 10 | 0.6 | CN(CCCCO)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1021/jm7010595 | ||
| CHEMBL237492 | 89148 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 477 | 14 | 3 | 10 | 0.6 | CN(CCCCO)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1021/jm7010595 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44444568 | 93531 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1N1CCN[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL248542 | 93531 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 470 | 5 | 1 | 7 | 3.4 | COc1cc2c(cc1N1CCN[C@H](C)C1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 15481185 | 76893 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL207970 | 76893 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| 156011736 | 176839 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 605 | 7 | 3 | 7 | 3.0 | Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4638566 | 176839 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 605 | 7 | 3 | 7 | 3.0 | Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 25022506 | 94810 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL256263 | 94810 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 24803347 | 154477 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL401548 | 154477 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 46882394 | 5750 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079185 | 5750 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cnc[nH]2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 46882395 | 5751 | 0 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2[nH]cnc2C)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079186 | 5751 | 0 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.5 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2[nH]cnc2C)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| 44570699 | 190701 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 474 | 5 | 2 | 5 | 2.2 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL519121 | 190701 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 474 | 5 | 2 | 5 | 2.2 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 69196498 | 88469 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364374 | 88469 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)s1 | 10.6019/CHEMBL2364335 | ||
| 69197028 | 88508 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)c3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364413 | 88508 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(C)c3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69198238 | 88519 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 441 | 5 | 2 | 5 | 4.7 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364423 | 88519 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 441 | 5 | 2 | 5 | 4.7 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11712867 | 88556 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)cc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364459 | 88556 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)cc1F | 10.6019/CHEMBL2364335 | ||
| 69194471 | 88571 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364473 | 88571 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| 11698505 | 88580 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364482 | 88580 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1 | 10.6019/CHEMBL2364335 | ||
| 9950632 | 88264 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.05.100 | ||
| CHEMBL236038 | 88264 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.05.100 | ||
| 44579880 | 186243 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489401 | 186243 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579841 | 191945 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL521176 | 191945 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44434010 | 88331 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 445 | 14 | 3 | 8 | 1.5 | CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL236311 | 88331 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 445 | 14 | 3 | 8 | 1.5 | CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2008.03.059 | ||
| 9950632 | 88264 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| 9950632 | 88264 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL236038 | 88264 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236038 | 88264 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.01.100 | ||
| 44434010 | 88331 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 445 | 14 | 3 | 8 | 1.5 | CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236311 | 88331 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 445 | 14 | 3 | 8 | 1.5 | CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 44437966 | 200399 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 4.8 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N1CCOCC1)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL608827 | 200399 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 4.8 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N1CCOCC1)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| 44437969 | 200823 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 5.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N(C)C)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL611488 | 200823 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 5.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N(C)C)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| 44437966 | 200399 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 4.8 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N1CCOCC1)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL608827 | 200399 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 4.8 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N1CCOCC1)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| 44437969 | 200823 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 5.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N(C)C)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL611488 | 200823 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 5.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N(C)C)cc2C(F)(F)F | 10.1016/j.bmc.2007.01.057 | ||
| 44454368 | 94805 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCC(C#N)c2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL256236 | 94805 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCC(C#N)c2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 145987684 | 166713 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CC[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4293331 | 166713 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CC[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 44444560 | 154403 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 541 | 5 | 1 | 5 | 3.4 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)Cc1cccc(I)c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL401133 | 154403 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 541 | 5 | 1 | 5 | 3.4 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)Cc1cccc(I)c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145953855 | 161953 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167669 | 161953 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44570923 | 183364 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 403 | 4 | 1 | 5 | 2.0 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481602 | 183364 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 403 | 4 | 1 | 5 | 2.0 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccco3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 44570761 | 189369 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 2.5 | NC1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL517081 | 189369 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 2.5 | NC1CCN(C(=O)C2CCCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 122178179 | 120737 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1002 | 29 | 10 | 9 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| CHEMBL3578008 | 120737 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 1002 | 29 | 10 | 9 | 3.8 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| 24969112 | 88434 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 3.2 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccnc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364339 | 88434 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 445 | 5 | 2 | 7 | 3.2 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccnc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 | 10.6019/CHEMBL2364335 | ||
| 11540248 | 88440 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 479 | 5 | 2 | 6 | 4.9 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364345 | 88440 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 479 | 5 | 2 | 6 | 4.9 | COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11647560 | 88442 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364347 | 88442 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69196005 | 88473 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 463 | 5 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1sc2ccc(F)cc2c1C | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364378 | 88473 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 463 | 5 | 2 | 6 | 4.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1sc2ccc(F)cc2c1C | 10.6019/CHEMBL2364335 | ||
| 69198434 | 88481 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 488 | 7 | 2 | 8 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnccc2OC)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364386 | 88481 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 488 | 7 | 2 | 8 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnccc2OC)s1 | 10.6019/CHEMBL2364335 | ||
| 69198286 | 88489 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 401 | 4 | 2 | 5 | 3.9 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364394 | 88489 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 401 | 4 | 2 | 5 | 3.9 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11562181 | 88500 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3F)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364405 | 88500 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.6 | COc1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3F)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69196132 | 88511 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364416 | 88511 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2)s1 | 10.6019/CHEMBL2364335 | ||
| 69197703 | 88512 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)cc2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364417 | 88512 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)cc2)s1 | 10.6019/CHEMBL2364335 | ||
| 69194443 | 88533 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2F)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364436 | 88533 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 487 | 6 | 2 | 5 | 4.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2F)cc1 | 10.6019/CHEMBL2364335 | ||
| 11503069 | 88536 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 439 | 5 | 2 | 4 | 4.5 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364439 | 88536 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 439 | 5 | 2 | 4 | 4.5 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 11647941 | 88543 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.4 | Cc1cc(-c2ccoc2)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364446 | 88543 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.4 | Cc1cc(-c2ccoc2)ccc1S(=O)(=O)Nc1cc(N2C[C@H](C)N[C@H](C)C2)ccc1F | 10.6019/CHEMBL2364335 | ||
| 11576203 | 88550 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 459 | 5 | 2 | 6 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364453 | 88550 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 459 | 5 | 2 | 6 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 | 10.6019/CHEMBL2364335 | ||
| 11683891 | 88564 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 453 | 6 | 2 | 7 | 3.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnccn2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364467 | 88564 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 453 | 6 | 2 | 7 | 3.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnccn2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69194380 | 88588 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 443 | 6 | 2 | 6 | 4.0 | COc1ccc(N2CCN[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364490 | 88588 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 443 | 6 | 2 | 6 | 4.0 | COc1ccc(N2CCN[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 56926783 | 68701 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 470 | 4 | 3 | 4 | 2.8 | CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923632 | 68701 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 470 | 4 | 3 | 4 | 2.8 | CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 156021183 | 177540 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648308 | 177540 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156017268 | 177066 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641472 | 177066 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156021183 | 177540 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648308 | 177540 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44453070 | 94637 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 453 | 6 | 2 | 7 | 3.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cncnc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL255401 | 94637 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 453 | 6 | 2 | 7 | 3.1 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cncnc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44453097 | 154542 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 452 | 6 | 2 | 6 | 3.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccncc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL401891 | 154542 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 452 | 6 | 2 | 6 | 3.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccncc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44570762 | 182836 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 414 | 4 | 1 | 5 | 1.9 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cccnc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL479865 | 182836 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 414 | 4 | 1 | 5 | 1.9 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3cccnc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL3578013 | 210007 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 156017268 | 177066 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641472 | 177066 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44434114 | 88974 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 452 | 10 | 2 | 9 | 1.5 | COC(=O)C(c1ccccc1)n1nnc([C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237060 | 88974 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 452 | 10 | 2 | 9 | 1.5 | COC(=O)C(c1ccccc1)n1nnc([C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44450134 | 161331 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 479 | 13 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL415095 | 161331 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 479 | 13 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| 44446177 | 94197 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252448 | 94197 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/s0960-894x(01)00324-9 | ||||
| 44450105 | 95345 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 507 | 15 | 3 | 8 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL258762 | 95345 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 507 | 15 | 3 | 8 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| 44447848 | 94446 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 15 | 4 | 11 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccc(OC(F)(F)F)cc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254167 | 94446 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 547 | 15 | 4 | 11 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccc(OC(F)(F)F)cc1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44580031 | 192458 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 381 | 7 | 2 | 4 | 3.2 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL522446 | 192458 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 381 | 7 | 2 | 4 | 3.2 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL3578013 | 210007 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 44447845 | 94424 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 599 | 14 | 4 | 10 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL253966 | 94424 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 599 | 14 | 4 | 10 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44434119 | 89462 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 10 | 3 | 10 | -0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1nnn[nH]1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237925 | 89462 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 400 | 10 | 3 | 10 | -0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1nnn[nH]1 | 10.1016/j.bmcl.2007.07.099 | ||
| 145953855 | 161953 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167669 | 161953 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44434121 | 89464 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 385 | 11 | 2 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237927 | 89464 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 385 | 11 | 2 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| 162646324 | 179146 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 688 | 17 | 3 | 9 | 4.8 | CCN(CC)CCc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4744139 | 179146 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 688 | 17 | 3 | 9 | 4.8 | CCN(CC)CCc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 10721075 | 15363 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 534 | 11 | 2 | 5 | 3.8 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1csc2ccccc12)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL121960 | 15363 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 534 | 11 | 2 | 5 | 3.8 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1csc2ccccc12)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 145959787 | 161723 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16114289 | 98199 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL277376 | 98199 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| 56926892 | 68705 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923636 | 68705 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 145984632 | 165827 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 629 | 5 | 1 | 4 | 8.0 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)C(C)(C)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4276775 | 165827 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 629 | 5 | 1 | 4 | 8.0 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)C(C)(C)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 155551597 | 173367 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 974 | 27 | 13 | 11 | -1.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4541252 | 173367 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 974 | 27 | 13 | 11 | -1.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 22862448 | 96717 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL268231 | 96717 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 | 10.1016/s0960-894x(97)10199-8 | ||
| 22867465 | 96757 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1C2 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL268518 | 96757 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1C2 | 10.1016/s0960-894x(97)10199-8 | ||
| 44301387 | 11144 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1179088 | 11144 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL59572 | 11144 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 56926356 | 68662 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923512 | 68662 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 10143731 | 63982 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 2 | 5 | 4.7 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)C(O)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181156 | 63982 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 11 | 2 | 5 | 4.7 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)C(O)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44444558 | 167203 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 4 | 0 | 5 | 4.1 | COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(S(=O)(=O)c1ccc3ccccc3c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL430398 | 167203 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 4 | 0 | 5 | 4.1 | COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(S(=O)(=O)c1ccc3ccccc3c1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145959007 | 161695 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163623 | 161695 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145959787 | 161723 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156021766 | 177543 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648355 | 177543 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44452826 | 94925 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 428 | 5 | 2 | 6 | 3.8 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL256809 | 94925 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 428 | 5 | 2 | 6 | 3.8 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44452777 | 95760 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 470 | 6 | 2 | 7 | 4.0 | CC(=O)c1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL260831 | 95760 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 470 | 6 | 2 | 7 | 4.0 | CC(=O)c1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| 11554351 | 96079 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 458 | 6 | 2 | 6 | 2.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL262879 | 96079 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 458 | 6 | 2 | 6 | 2.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 11605061 | 96253 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 462 | 5 | 2 | 6 | 4.5 | C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL264170 | 96253 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 462 | 5 | 2 | 6 | 4.5 | C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44452825 | 154699 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 472 | 7 | 2 | 7 | 4.2 | CCOc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL402772 | 154699 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 472 | 7 | 2 | 7 | 4.2 | CCOc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL3578017 | 210011 | 0 | None | -3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 69197033 | 88465 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 6 | 2 | 7 | 3.3 | COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364370 | 88465 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 442 | 6 | 2 | 7 | 3.3 | COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69197513 | 88480 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 6 | 2 | 8 | 3.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364385 | 88480 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 6 | 2 | 8 | 3.4 | COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69196509 | 88484 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2C)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364389 | 88484 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc(Br)cc2C)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11669948 | 88496 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364401 | 88496 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 5 | 2 | 5 | 3.8 | COc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69196071 | 88554 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 6 | 2 | 8 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364457 | 88554 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 6 | 2 | 8 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)n2)s1 | 10.6019/CHEMBL2364335 | ||
| 69194899 | 88558 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccoc2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364461 | 88558 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccoc2)c1 | 10.6019/CHEMBL2364335 | ||
| 44434055 | 88861 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236858 | 88861 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 44436889 | 152511 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 563 | 11 | 3 | 5 | 6.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL397594 | 152511 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 563 | 11 | 3 | 5 | 6.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44570922 | 191954 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 3 | 1 | 4 | 1.6 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL521264 | 191954 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 3 | 1 | 4 | 1.6 | N[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 69196838 | 88445 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 5 | 2 | 6 | 3.2 | COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364350 | 88445 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 5 | 2 | 6 | 3.2 | COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 25211977 | 186309 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489818 | 186309 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 16113580 | 137340 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm701292s | ||
| CHEMBL376258 | 137340 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm701292s | ||
| 44434111 | 145738 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1cc2ccccc2n1S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392077 | 145738 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1cc2ccccc2n1S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 15481185 | 76893 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL207970 | 76893 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1016/j.bmc.2007.01.057 | ||
| 127048059 | 139023 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 675 | 16 | 6 | 8 | 4.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797225 | 139023 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 675 | 16 | 6 | 8 | 4.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 16113580 | 137340 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL376258 | 137340 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| 44450103 | 95315 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 495 | 14 | 3 | 10 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(C)(=O)=O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL258551 | 95315 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 495 | 14 | 3 | 10 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(C)(=O)=O | 10.1016/j.bmcl.2008.03.059 | ||
| 44391032 | 64499 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 5.7 | CC(C)N(CCNC(=O)C1c2ccc(Oc3cccc(F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL182050 | 64499 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 5.7 | CC(C)N(CCNC(=O)C1c2ccc(Oc3cccc(F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 156011736 | 176839 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 605 | 7 | 3 | 7 | 3.0 | Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4638566 | 176839 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 605 | 7 | 3 | 7 | 3.0 | Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44450132 | 95553 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 447 | 14 | 4 | 9 | 0.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL259712 | 95553 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 447 | 14 | 4 | 9 | 0.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 145948725 | 166925 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 885 | 20 | 7 | 9 | 6.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL4299615 | 166925 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 885 | 20 | 7 | 9 | 6.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44281450 | 99171 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 1.5 | COC(=O)CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL284295 | 99171 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 1.5 | COC(=O)CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44281450 | 99171 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 1.5 | COC(=O)CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL284295 | 99171 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 1.5 | COC(=O)CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 44411584 | 10191 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161822 | 10191 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 156015766 | 176984 | 0 | None | 407 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640438 | 176984 | 0 | None | 407 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44411584 | 10191 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161822 | 10191 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 22888433 | 64267 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 535 | 10 | 1 | 5 | 5.9 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC1CCCCC1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181735 | 64267 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 535 | 10 | 1 | 5 | 5.9 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC1CCCCC1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44579775 | 186587 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 352 | 7 | 1 | 3 | 3.5 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL492230 | 186587 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 352 | 7 | 1 | 3 | 3.5 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 11258291 | 188505 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL510195 | 188505 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579882 | 192454 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL522426 | 192454 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44450044 | 160543 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 433 | 13 | 4 | 9 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCO | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL411699 | 160543 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 433 | 13 | 4 | 9 | -0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCO | 10.1016/j.bmcl.2008.03.059 | ||
| 56926463 | 68681 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923611 | 68681 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 145981687 | 166013 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 509 | 5 | 1 | 3 | 6.5 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(Cl)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4279987 | 166013 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 509 | 5 | 1 | 3 | 6.5 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(Cl)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 44579640 | 186303 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 354 | 7 | 1 | 4 | 3.2 | COc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489793 | 186303 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 354 | 7 | 1 | 4 | 3.2 | COc1cccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579686 | 186398 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 395 | 8 | 2 | 4 | 3.6 | CCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490614 | 186398 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 395 | 8 | 2 | 4 | 3.6 | CCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(NC(C)=O)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 16203238 | 136572 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 531 | 9 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL374757 | 136572 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 531 | 9 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm070024h | ||
| 44390997 | 122472 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 481 | 8 | 1 | 5 | 4.6 | CC(C)N(C)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL360891 | 122472 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 481 | 8 | 1 | 5 | 4.6 | CC(C)N(C)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL3578017 | 210011 | 0 | None | -3 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 23661656 | 168467 | 0 | None | -7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
| CHEMBL439560 | 168467 | 0 | None | -7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 564 | 8 | 1 | 4 | 5.3 | CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N2CCCC2=O)CC1 | 10.1016/j.bmc.2007.05.026 | ||
| 44434074 | 154123 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL399625 | 154123 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434009 | 166882 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 431 | 13 | 3 | 8 | 1.1 | CCCCNC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL429799 | 166882 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 431 | 13 | 3 | 8 | 1.1 | CCCCNC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 22867312 | 23651 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 472 | 5 | 3 | 4 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1C2=O | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13366 | 23651 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 472 | 5 | 3 | 4 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1C2=O | 10.1016/s0960-894x(97)10199-8 | ||
| 162665952 | 181787 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 688 | 14 | 4 | 10 | 3.5 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4785149 | 181787 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 688 | 14 | 4 | 10 | 3.5 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44434056 | 144450 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL391088 | 144450 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434007 | 88133 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 390 | 10 | 2 | 9 | 0.3 | COC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235446 | 88133 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 390 | 10 | 2 | 9 | 0.3 | COC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 156021766 | 177543 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648355 | 177543 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44391035 | 122080 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 545 | 11 | 1 | 4 | 5.3 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1F)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL360247 | 122080 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 545 | 11 | 1 | 4 | 5.3 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1F)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44301512 | 11902 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 13 | 3 | 8 | 1.0 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183340 | 11902 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 13 | 3 | 8 | 1.0 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL291333 | 11902 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 566 | 13 | 3 | 8 | 1.0 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 145979268 | 166100 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 7.4 | COc1ccc([C@H](CC2CC2)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4281647 | 166100 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 7.4 | COc1ccc([C@H](CC2CC2)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 145959007 | 161695 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163623 | 161695 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44580030 | 186377 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 324 | 6 | 1 | 3 | 3.2 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490422 | 186377 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 324 | 6 | 1 | 3 | 3.2 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 118718706 | 114867 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL3350011 | 114867 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44301462 | 11142 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1179075 | 11142 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL58758 | 11142 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 16113800 | 137274 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1cccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL375972 | 137274 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1cccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| 44391015 | 123025 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 557 | 12 | 1 | 5 | 5.2 | COc1ccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL361802 | 123025 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 557 | 12 | 1 | 5 | 5.2 | COc1ccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NCCN(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2005.02.040 | ||
| 162677268 | 182981 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 663 | 14 | 3 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4800459 | 182981 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 663 | 14 | 3 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 10507433 | 16275 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 13 | 3 | 6 | 3.5 | C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL123430 | 16275 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 13 | 3 | 6 | 3.5 | C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 23730458 | 146027 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 499 | 14 | 3 | 11 | 0.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCn1ccnc1 | 10.1021/jm7010595 | ||
| CHEMBL392296 | 146027 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 499 | 14 | 3 | 11 | 0.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCn1ccnc1 | 10.1021/jm7010595 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 168285897 | 191051 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 273 | 7 | 1 | 2 | 4.1 | CCCCCCCc1cc(=O)c2cc(OC)ccc2[nH]1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL5196194 | 191051 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 273 | 7 | 1 | 2 | 4.1 | CCCCCCCc1cc(=O)c2cc(OC)ccc2[nH]1 | 10.1021/acs.jmedchem.1c02191 | ||
| 155529391 | 170864 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1427 | 41 | 20 | 17 | -3.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4463042 | 170864 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1427 | 41 | 20 | 17 | -3.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 145956659 | 161494 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160434 | 161494 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 155537651 | 171740 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1597 | 47 | 22 | 19 | -3.8 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4475293 | 171740 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1597 | 47 | 22 | 19 | -3.8 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 145981196 | 165972 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 627 | 5 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)N[C@@H](C)c4ccc(-c5cnccn5)c(Cl)c4Cl)CC3)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4279344 | 165972 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 627 | 5 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)N[C@@H](C)c4ccc(-c5cnccn5)c(Cl)c4Cl)CC3)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 145979819 | 165909 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 655 | 8 | 1 | 6 | 7.9 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4278185 | 165909 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 655 | 8 | 1 | 6 | 7.9 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44434016 | 89748 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 12 | 3 | 7 | 1.5 | CCCCNC(=O)CCn1nnnc1[C@@H](CCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL238228 | 89748 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 12 | 3 | 7 | 1.5 | CCCCNC(=O)CCn1nnnc1[C@@H](CCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 16113692 | 136699 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 559 | 11 | 4 | 5 | 5.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL375162 | 136699 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 559 | 11 | 4 | 5 | 5.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| 24970113 | 68699 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 580 | 3 | 3 | 5 | 3.8 | C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923629 | 68699 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 580 | 3 | 3 | 5 | 3.8 | C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL2170777 | 207610 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/jm300414b | ||||
| 145956026 | 162100 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4169979 | 162100 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 22862436 | 10202 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161834 | 10202 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 10602640 | 137648 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL376970 | 137648 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1016/j.bmc.2007.01.057 | ||
| 10791616 | 138993 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL379564 | 138993 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 10029990 | 168707 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL441360 | 168707 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 11526696 | 71243 | 13 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| CHEMBL1923502 | 71243 | 13 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| CHEMBL1963249 | 71243 | 13 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| 10649323 | 15340 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 508 | 13 | 2 | 5 | 2.5 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](COCc1ccccc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL121803 | 15340 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 508 | 13 | 2 | 5 | 2.5 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](COCc1ccccc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 10841400 | 16657 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 608 | 13 | 3 | 5 | 3.7 | C[C@H](O)CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL124831 | 16657 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 608 | 13 | 3 | 5 | 3.7 | C[C@H](O)CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 156009875 | 176539 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633695 | 176539 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44444562 | 94022 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 463 | 6 | 1 | 5 | 3.5 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)CCc1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL251365 | 94022 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 463 | 6 | 1 | 5 | 3.5 | COc1cc2c(cc1N1C[C@H](C)N[C@H](C)C1)N(S(=O)(=O)CCc1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 145956026 | 162100 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4169979 | 162100 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 22862436 | 10202 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161834 | 10202 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 10602640 | 137648 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL376970 | 137648 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1016/j.bmc.2007.01.057 | ||
| 10791616 | 138993 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL379564 | 138993 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 10029990 | 168707 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL441360 | 168707 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 156009875 | 176539 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633695 | 176539 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156015766 | 176984 | 0 | None | 407 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640438 | 176984 | 0 | None | 407 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 523 | 7 | 3 | 7 | 1.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(-c2ccccc2)on1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44570967 | 189566 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 437 | 4 | 2 | 6 | 1.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL517391 | 189566 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 437 | 4 | 2 | 6 | 1.1 | Cc1ccc(-c2ccc(S(=O)(=O)N3C[C@@H](O)C[C@H]3C(=O)N3CC[C@@H](N)C3)cc2F)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 24969114 | 88437 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364342 | 88437 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)nc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1Cl | 10.6019/CHEMBL2364335 | ||
| 59007076 | 88460 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364365 | 88460 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 457 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1 | 10.6019/CHEMBL2364335 | ||
| 69197196 | 88462 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364367 | 88462 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 463 | 6 | 2 | 7 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)s1 | 10.6019/CHEMBL2364335 | ||
| 69197071 | 88501 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 5 | 2 | 5 | 4.5 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364406 | 88501 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 5 | 2 | 5 | 4.5 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69194482 | 88516 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 409 | 4 | 2 | 4 | 4.1 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364420 | 88516 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 409 | 4 | 2 | 4 | 4.1 | Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1 | 10.6019/CHEMBL2364335 | ||
| 11719784 | 88553 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1C | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364456 | 88553 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1C | 10.6019/CHEMBL2364335 | ||
| 59007054 | 88585 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 441 | 5 | 3 | 6 | 3.9 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3O)cc2)o1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364487 | 88585 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 441 | 5 | 3 | 6 | 3.9 | Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3O)cc2)o1 | 10.6019/CHEMBL2364335 | ||
| 16114097 | 78732 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL2113321 | 78732 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1 | 10.1021/jm0704550 | ||
| 16113710 | 78736 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL2113325 | 78736 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 23730226 | 147327 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 449 | 13 | 4 | 10 | -0.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCO | 10.1021/jm7010595 | ||
| CHEMBL393329 | 147327 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 449 | 13 | 4 | 10 | -0.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCO | 10.1021/jm7010595 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.8b01644 | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.8b01644 | ||||
| 44411632 | 10192 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161823 | 10192 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 22888425 | 62180 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 557 | 12 | 2 | 5 | 4.7 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)C(CO)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL178216 | 62180 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 557 | 12 | 2 | 5 | 4.7 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)C(CO)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44411632 | 10192 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161823 | 10192 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL2170782 | 207614 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44579858 | 186332 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2Cl)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490010 | 186332 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2Cl)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579778 | 186426 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490801 | 186426 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 162657606 | 180525 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 693 | 15 | 3 | 8 | 5.7 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4760409 | 180525 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 693 | 15 | 3 | 8 | 5.7 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 145956659 | 161494 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160434 | 161494 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950987 | 162278 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 4 | 3 | 5 | 1.7 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCO3)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172848 | 162278 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 4 | 3 | 5 | 1.7 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCO3)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 69198313 | 88456 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 426 | 5 | 2 | 6 | 3.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2cccnc12 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364361 | 88456 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 426 | 5 | 2 | 6 | 3.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc2cccnc12 | 10.6019/CHEMBL2364335 | ||
| 69195692 | 88457 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364362 | 88457 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.6019/CHEMBL2364335 | ||
| 69196612 | 88458 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 442 | 6 | 2 | 7 | 3.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364363 | 88458 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 442 | 6 | 2 | 7 | 3.3 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11511158 | 88506 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364411 | 88506 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)s2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69198054 | 88559 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2cc(C)cs2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364462 | 88559 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2cc(C)cs2)c1 | 10.6019/CHEMBL2364335 | ||
| 69195074 | 88572 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)nc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364474 | 88572 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)nc1 | 10.6019/CHEMBL2364335 | ||
| 69195546 | 88582 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364484 | 88582 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 459 | 5 | 2 | 5 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c2ccccc12 | 10.6019/CHEMBL2364335 | ||
| 44580028 | 192637 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 416 | 8 | 1 | 4 | 4.5 | COc1c(-c2ccccc2)cccc1N(C[C@H]1CCCN1)C(=O)COc1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL523786 | 192637 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 416 | 8 | 1 | 4 | 4.5 | COc1c(-c2ccccc2)cccc1N(C[C@H]1CCCN1)C(=O)COc1ccccc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44434011 | 147319 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 465 | 12 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL393321 | 147319 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 465 | 12 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 57390496 | 68698 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| CHEMBL1923628 | 68698 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| 145988894 | 166580 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4290680 | 166580 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44434086 | 148311 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 420 | 10 | 2 | 7 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C/C=C/c2ccccc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL394130 | 148311 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 420 | 10 | 2 | 7 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C/C=C/c2ccccc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 145950987 | 162278 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 4 | 3 | 5 | 1.7 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCO3)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172848 | 162278 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 4 | 3 | 5 | 1.7 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCO3)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 44449924 | 159386 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 487 | 12 | 4 | 9 | 1.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)N[C@H]1CC[C@H](O)CC1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL410730 | 159386 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 487 | 12 | 4 | 9 | 1.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)N[C@H]1CC[C@H](O)CC1 | 10.1016/j.bmcl.2008.03.059 | ||
| 56926785 | 68703 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923634 | 68703 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 44434078 | 89466 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 513 | 10 | 2 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC2Cc3ccccc3N2S(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237932 | 89466 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 513 | 10 | 2 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CC2Cc3ccccc3N2S(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434008 | 145989 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 11 | 2 | 9 | 0.7 | COC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392268 | 145989 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 404 | 11 | 2 | 9 | 0.7 | COC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 44411913 | 10201 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161833 | 10201 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44268939 | 30218 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13926 | 30218 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 488 | 5 | 3 | 5 | 3.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 44411913 | 10201 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161833 | 10201 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44434015 | 88049 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 493 | 14 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235011 | 88049 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 493 | 14 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44411905 | 10200 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161832 | 10200 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 10506325 | 100758 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL296104 | 100758 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1016/j.bmc.2007.01.057 | ||
| 16113371 | 78728 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL2113318 | 78728 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 162676229 | 182712 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 715 | 15 | 3 | 10 | 3.9 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4797064 | 182712 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 715 | 15 | 3 | 10 | 3.9 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL3578005 | 210002 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm501702q | ||||
| 44348031 | 112577 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 618 | 14 | 3 | 5 | 4.3 | C[C@@H](O)CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](CC1=CCC(c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL331303 | 112577 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 618 | 14 | 3 | 5 | 4.3 | C[C@@H](O)CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](CC1=CCC(c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 44411905 | 10200 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161832 | 10200 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44437953 | 10211 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 6 | 1.5 | NCCNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCN1C(=O)CCS(=O)(=O)c2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1162062 | 10211 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 6 | 1.5 | NCCNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCN1C(=O)CCS(=O)(=O)c2ccccc21 | 10.1016/j.bmc.2007.01.057 | ||
| 10506325 | 100758 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL296104 | 100758 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1016/j.bmc.2007.01.057 | ||
| 44436857 | 145111 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 594 | 12 | 4 | 7 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL391588 | 145111 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 594 | 12 | 4 | 7 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 156021787 | 177559 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648799 | 177559 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 10006735 | 116499 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 10 | 3 | 6 | 2.0 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL33892 | 116499 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 10 | 3 | 6 | 2.0 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 10006735 | 116499 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 10 | 3 | 6 | 2.0 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL33892 | 116499 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 10 | 3 | 6 | 2.0 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1 | 10.1016/j.bmc.2007.01.057 | ||
| 156021787 | 177559 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648799 | 177559 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 509 | 6 | 4 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCNC3)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11712108 | 160749 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 451 | 6 | 2 | 5 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL412303 | 160749 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 451 | 6 | 2 | 5 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 44571003 | 191979 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 445 | 4 | 1 | 5 | 3.0 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3C[C@H](C)N[C@H](C)C3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL521439 | 191979 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 445 | 4 | 1 | 5 | 3.0 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3C[C@H](C)N[C@H](C)C3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL3578005 | 210002 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm501702q | ||||
| 69196876 | 88447 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 441 | 6 | 2 | 7 | 2.9 | COc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364352 | 88447 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 441 | 6 | 2 | 7 | 2.9 | COc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11562329 | 88486 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 6 | 4.5 | COCc1cccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)cc2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364391 | 88486 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 6 | 4.5 | COCc1cccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@H](C)N[C@H](C)C4)ccc3OC)cc2)c1 | 10.6019/CHEMBL2364335 | ||
| 69196868 | 88490 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 427 | 5 | 2 | 5 | 4.4 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364395 | 88490 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 427 | 5 | 2 | 5 | 4.4 | C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69196990 | 88546 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 480 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1C | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364449 | 88546 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 480 | 6 | 2 | 6 | 4.4 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1C | 10.6019/CHEMBL2364335 | ||
| 69195880 | 88563 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 5.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(C)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364466 | 88563 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 5.0 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(C)c1 | 10.6019/CHEMBL2364335 | ||
| 11518463 | 88566 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1cc(-c2cc(C)cs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364469 | 88566 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1cc(-c2cc(C)cs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 | 10.6019/CHEMBL2364335 | ||
| 69195024 | 88590 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 461 | 5 | 3 | 6 | 4.2 | C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364492 | 88590 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 461 | 5 | 3 | 6 | 4.2 | C[C@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccccc4F)s3)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 44390922 | 121619 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 557 | 12 | 1 | 5 | 5.2 | COc1cccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NCCN(C(C)C)C(C)C)c1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL359686 | 121619 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 557 | 12 | 1 | 5 | 5.2 | COc1cccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NCCN(C(C)C)C(C)C)c1 | 10.1016/j.bmcl.2005.02.040 | ||
| 23631026 | 166885 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 | 10.1021/jm070071+ | ||
| CHEMBL429817 | 166885 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 | 10.1021/jm070071+ | ||
| CHEMBL2170779 | 207611 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44447842 | 94564 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.6 | CC(C)(N)C(=O)N[C@H](COCc1cc(Cl)cc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| CHEMBL254972 | 94564 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 531 | 14 | 4 | 10 | 1.6 | CC(C)(N)C(=O)N[C@H](COCc1cc(Cl)cc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO | 10.1016/j.bmcl.2008.02.021 | ||
| 44579804 | 186472 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL491220 | 186472 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 4.5 | CC(Oc1ccccc1Cl)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145948708 | 166924 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 886 | 20 | 7 | 10 | 5.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CNCCO3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL4299606 | 166924 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 886 | 20 | 7 | 10 | 5.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CNCCO3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 121879 | 2195 | 19 | None | 1 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1016/s0960-894x(97)10199-8 | ||
| 5868 | 2195 | 19 | None | 1 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL308716 | 2195 | 19 | None | 1 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1016/s0960-894x(97)10199-8 | ||
| 44268996 | 165899 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(Cc3ccccc3C2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL427806 | 165899 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(Cc3ccccc3C2)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 122178180 | 120738 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1130 | 35 | 12 | 11 | 3.4 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| CHEMBL3578009 | 120738 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1130 | 35 | 12 | 11 | 3.4 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| 44579959 | 183680 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL483865 | 183680 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44454117 | 155004 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404336 | 155004 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| 162677361 | 182917 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 685 | 16 | 4 | 8 | 4.7 | COc1ccc(C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4799766 | 182917 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 685 | 16 | 4 | 8 | 4.7 | COc1ccc(C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL2170700 | 207605 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44444570 | 154218 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 456 | 5 | 1 | 7 | 3.0 | COc1cc2c(cc1N1CCNCC1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| CHEMBL400125 | 154218 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 456 | 5 | 1 | 7 | 3.0 | COc1cc2c(cc1N1CCNCC1)N(S(=O)(=O)c1ccc(-c3ccccn3)s1)CC2 | 10.1016/j.bmcl.2007.09.067 | ||
| 156017532 | 177324 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645072 | 177324 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11662746 | 97351 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL271947 | 97351 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 467 | 7 | 2 | 6 | 4.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.021 | ||
| 122178180 | 120738 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1130 | 35 | 12 | 11 | 3.4 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| CHEMBL3578009 | 120738 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 1130 | 35 | 12 | 11 | 3.4 | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O | 10.1021/jm501702q | ||
| CHEMBL3578007 | 210004 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm501702q | ||||
| 16750162 | 88436 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 474 | 6 | 2 | 7 | 3.8 | COc1ncc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364341 | 88436 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 474 | 6 | 2 | 7 | 3.8 | COc1ncc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| 11568467 | 88446 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.0 | COc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364351 | 88446 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 443 | 5 | 2 | 5 | 4.0 | COc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69197136 | 88547 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2ccccc2F)s1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364450 | 88547 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 6 | 4.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2ccccc2F)s1 | 10.6019/CHEMBL2364335 | ||
| 69195304 | 88561 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 4 | 2 | 4 | 3.9 | Cc1cc(S(=O)(=O)Nc2cc(N3C[C@H](C)N[C@H](C)C3)ccc2F)ccc1Br | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364464 | 88561 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 455 | 4 | 2 | 4 | 3.9 | Cc1cc(S(=O)(=O)Nc2cc(N3C[C@H](C)N[C@H](C)C3)ccc2F)ccc1Br | 10.6019/CHEMBL2364335 | ||
| 145949880 | 162229 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172217 | 162229 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16114099 | 136687 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 559 | 10 | 4 | 5 | 5.5 | Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL375103 | 136687 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 559 | 10 | 4 | 5 | 5.5 | Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 44269018 | 96886 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CCc3ccccc32)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL269447 | 96886 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC2(CCc3ccccc32)C1 | 10.1016/s0960-894x(97)10199-8 | ||
| 145949880 | 162229 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172217 | 162229 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156015598 | 176993 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 486 | 7 | 4 | 6 | 0.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(C2CC2)n[nH]1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640573 | 176993 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 486 | 7 | 4 | 6 | 0.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(C2CC2)n[nH]1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44452827 | 94969 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 5 | 2 | 7 | 3.7 | C[C@H]1CN(c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)ccc2C#N)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL257019 | 94969 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 5 | 2 | 7 | 3.7 | C[C@H]1CN(c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)ccc2C#N)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| 46882582 | 5663 | 0 | None | -125 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 466 | 5 | 2 | 5 | 3.9 | CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc2O1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1078490 | 5663 | 0 | None | -125 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 466 | 5 | 2 | 5 | 3.9 | CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN(Cc3cc[nH]n3)CC4)ccc2O1 | 10.1016/j.bmcl.2009.09.027 | ||
| 145988647 | 166508 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4ncccn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4289530 | 166508 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4ncccn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 44454367 | 94804 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL256235 | 94804 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| 16113691 | 136183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm0704550 | ||
| CHEMBL374073 | 136183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm0704550 | ||
| 16113691 | 136183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL374073 | 136183 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| 22867380 | 29192 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 472 | 5 | 3 | 3 | 3.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCCc3ccccc32)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| CHEMBL13841 | 29192 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 472 | 5 | 3 | 3 | 3.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCCc3ccccc32)CC1 | 10.1016/s0960-894x(97)10199-8 | ||
| 2098 | 3625 | 31 | None | -128 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02122 | ||||
| 36511 | 3625 | 31 | None | -128 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02122 | ||||
| 3805 | 3625 | 31 | None | -128 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02122 | ||||
| 3835 | 3625 | 31 | None | -128 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02122 | ||||
| CHEMBL235363 | 3625 | 31 | None | -128 | 11 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02122 | ||||
| 155561671 | 175081 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 817 | 22 | 11 | 9 | -0.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4581511 | 175081 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 817 | 22 | 11 | 9 | -0.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 44434073 | 89156 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237507 | 89156 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 145981794 | 166132 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 567 | 6 | 1 | 5 | 6.6 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4282394 | 166132 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 567 | 6 | 1 | 5 | 6.6 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 56926173 | 68655 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm1012374 | ||
| CHEMBL1923501 | 68655 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm1012374 | ||
| 44301389 | 11155 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1179118 | 11155 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL61292 | 11155 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 156015598 | 176993 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 486 | 7 | 4 | 6 | 0.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(C2CC2)n[nH]1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640573 | 176993 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 486 | 7 | 4 | 6 | 0.6 | O=C(N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1)c1cc(C2CC2)n[nH]1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156017532 | 177324 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645072 | 177324 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 10100708 | 11914 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 530 | 9 | 3 | 7 | 0.3 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183387 | 11914 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 530 | 9 | 3 | 7 | 0.3 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL294408 | 11914 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 530 | 9 | 3 | 7 | 0.3 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| 44579756 | 186231 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489370 | 186231 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145958487 | 161623 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc(F)c21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4162545 | 161623 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc(F)c21 | 10.1021/acs.jmedchem.8b00322 | ||
| 156016840 | 177047 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 621 | 7 | 3 | 7 | 3.4 | Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641215 | 177047 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 621 | 7 | 3 | 7 | 3.4 | Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL2170779 | 207611 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 10209618 | 63154 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 11 | 1 | 5 | 5.4 | CC(=O)c1ccccc1C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL179978 | 63154 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 555 | 11 | 1 | 5 | 5.4 | CC(=O)c1ccccc1C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 44391041 | 63975 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 591 | 11 | 1 | 6 | 5.1 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)Cc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL181123 | 63975 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 591 | 11 | 1 | 6 | 5.1 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)Cc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 10600702 | 140792 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL383526 | 140792 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 10600702 | 140792 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL383526 | 140792 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1016/j.bmc.2007.01.057 | ||
| 9868878 | 96081 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 460 | 14 | 4 | 9 | -0.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCC(N)=O | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL262884 | 96081 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 460 | 14 | 4 | 9 | -0.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCC(N)=O | 10.1016/j.bmcl.2008.03.059 | ||
| 11306502 | 63296 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180094 | 63296 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 495 | 8 | 1 | 5 | 5.5 | CC(C)N(CCNC(=O)C1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 22888395 | 63559 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 513 | 10 | 1 | 4 | 5.2 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180540 | 63559 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 513 | 10 | 1 | 4 | 5.2 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)c1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 156021942 | 177639 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649860 | 177639 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 16113248 | 78739 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 560 | 11 | 3 | 5 | 5.6 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113328 | 78739 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 560 | 11 | 3 | 5 | 5.6 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| 23730342 | 89458 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 511 | 13 | 4 | 10 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCc1cccc(O)c1 | 10.1021/jm7010595 | ||
| CHEMBL237916 | 89458 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 511 | 13 | 4 | 10 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCc1cccc(O)c1 | 10.1021/jm7010595 | ||
| 145958487 | 161623 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc(F)c21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4162545 | 161623 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2cc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc(F)c21 | 10.1021/acs.jmedchem.8b00322 | ||
| 156010733 | 176496 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633062 | 176496 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156013130 | 176918 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639514 | 176918 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156016840 | 177047 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 621 | 7 | 3 | 7 | 3.4 | Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641215 | 177047 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 621 | 7 | 3 | 7 | 3.4 | Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCNC1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156021942 | 177639 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649860 | 177639 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44570920 | 183341 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 2.5 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL481408 | 183341 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 2.5 | N[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 | 10.1016/j.bmcl.2008.12.042 | ||
| 44571005 | 183455 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 2.6 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CCCNCC3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| CHEMBL482204 | 183455 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 4 | 1 | 5 | 2.6 | Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CCCNCC3)cc2)o1 | 10.1016/j.bmcl.2008.12.042 | ||
| 11539144 | 88451 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364356 | 88451 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 425 | 5 | 2 | 5 | 3.8 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1 | 10.6019/CHEMBL2364335 | ||
| 69197315 | 88467 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1cc(F)c(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364372 | 88467 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 475 | 6 | 2 | 6 | 4.6 | COc1cc(F)c(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11683663 | 88493 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364398 | 88493 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 441 | 6 | 2 | 6 | 3.9 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1 | 10.6019/CHEMBL2364335 | ||
| 11583902 | 88534 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 484 | 6 | 2 | 6 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1F | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364437 | 88534 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 484 | 6 | 2 | 6 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)cc1F | 10.6019/CHEMBL2364335 | ||
| 69198030 | 88539 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 479 | 5 | 2 | 5 | 5.2 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3Cl)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364442 | 88539 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 479 | 5 | 2 | 5 | 5.2 | C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3Cl)c2)C[C@@H](C)N1 | 10.6019/CHEMBL2364335 | ||
| 69197149 | 88551 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)c(C)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364454 | 88551 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 2 | 6 | 4.7 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)c(C)c1 | 10.6019/CHEMBL2364335 | ||
| 69196669 | 88576 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 456 | 6 | 2 | 7 | 3.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)nc1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364478 | 88576 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 456 | 6 | 2 | 7 | 3.6 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)nc1 | 10.6019/CHEMBL2364335 | ||
| 10032659 | 11931 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 587 | 11 | 4 | 8 | -0.5 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@H](CO)NC(=O)CN)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183505 | 11931 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 587 | 11 | 4 | 8 | -0.5 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@H](CO)NC(=O)CN)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL301259 | 11931 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 587 | 11 | 4 | 8 | -0.5 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@H](CO)NC(=O)CN)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| 44450137 | 95841 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 465 | 12 | 3 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)Nc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL261234 | 95841 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 465 | 12 | 3 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)Nc1ccccc1 | 10.1016/j.bmcl.2008.03.059 | ||
| 127046472 | 139151 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL3798056 | 139151 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| 127046472 | 139151 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798056 | 139151 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 145988286 | 166642 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 542 | 6 | 1 | 6 | 5.4 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-n5nccn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4291718 | 166642 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 542 | 6 | 1 | 6 | 5.4 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-n5nccn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL3578007 | 210004 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm501702q | ||||
| CHEMBL61663 | 214052 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/s0960-894x(01)00324-9 | ||||
| 24180592 | 96552 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | ||
| CHEMBL266647 | 96552 | 0 | None | 1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | ||
| 162663868 | 181396 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 672 | 14 | 3 | 9 | 3.8 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4780408 | 181396 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 672 | 14 | 3 | 9 | 3.8 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 145986080 | 165888 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 489 | 5 | 1 | 3 | 6.2 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(C)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4277793 | 165888 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 489 | 5 | 1 | 3 | 6.2 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(C)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 168274297 | 189975 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 299 | 6 | 1 | 1 | 5.3 | CCCCCCCc1cc(=O)c2cc(C(C)(C)C)ccc2[nH]1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL5180310 | 189975 | 0 | None | - | 1 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 299 | 6 | 1 | 1 | 5.3 | CCCCCCCc1cc(=O)c2cc(C(C)(C)C)ccc2[nH]1 | 10.1021/acs.jmedchem.1c02191 | ||
| 127047523 | 139520 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 859 | 20 | 7 | 9 | 6.0 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3800422 | 139520 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 859 | 20 | 7 | 9 | 6.0 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44434118 | 147634 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 467 | 14 | 3 | 9 | 0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL393570 | 147634 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 467 | 14 | 3 | 9 | 0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 44446187 | 94171 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252255 | 94171 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 145959787 | 161723 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 155557019 | 174005 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4556887 | 174005 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 56926893 | 68706 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | 10.1021/jm2007062 | ||
| CHEMBL1923637 | 68706 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | 10.1021/jm2007062 | ||
| 44437963 | 200398 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 452 | 6 | 1 | 3 | 4.5 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c(Br)cccc21 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL608826 | 200398 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 452 | 6 | 1 | 3 | 4.5 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c(Br)cccc21 | 10.1016/j.bmc.2007.01.057 | ||
| 44437963 | 200398 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 452 | 6 | 1 | 3 | 4.5 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c(Br)cccc21 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL608826 | 200398 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 452 | 6 | 1 | 3 | 4.5 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c(Br)cccc21 | 10.1016/j.bmc.2007.01.057 | ||
| 44579881 | 186244 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccccc1Cl | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489402 | 186244 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 392 | 6 | 1 | 3 | 4.5 | CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1ccccc1Cl | 10.1016/j.bmcl.2008.07.120 | ||
| 24180646 | 147638 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | ||
| CHEMBL393576 | 147638 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | ||
| 24180646 | 147638 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | ||
| CHEMBL393576 | 147638 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1016/j.bmcl.2007.07.097 | ||
| 145959787 | 161723 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 46882520 | 5764 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.8 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1Cl | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1079311 | 5764 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 430 | 5 | 2 | 4 | 3.8 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1Cl | 10.1016/j.bmcl.2009.09.027 | ||
| 46882458 | 5886 | 0 | None | -31 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL1080046 | 5886 | 0 | None | -31 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.2 | CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1 | 10.1016/j.bmcl.2009.09.027 | ||
| CHEMBL3578016 | 210010 | 0 | None | -15 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 59007057 | 88450 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 458 | 6 | 2 | 6 | 2.8 | COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364355 | 88450 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 458 | 6 | 2 | 6 | 2.8 | COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 11597905 | 88504 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 6 | 2 | 5 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364409 | 88504 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 6 | 2 | 5 | 4.7 | COc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1N1C[C@H](C)N[C@H](C)C1 | 10.6019/CHEMBL2364335 | ||
| 69198135 | 88535 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 484 | 6 | 2 | 6 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364438 | 88535 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 484 | 6 | 2 | 6 | 4.2 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(C)n2)c(F)c1 | 10.6019/CHEMBL2364335 | ||
| 11711997 | 88552 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 446 | 5 | 2 | 7 | 2.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2c(c1)OCCN2C | 10.6019/CHEMBL2364335 | ||
| CHEMBL2364455 | 88552 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 446 | 5 | 2 | 7 | 2.5 | COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2c(c1)OCCN2C | 10.6019/CHEMBL2364335 | ||
| 44452778 | 159219 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 499 | 6 | 2 | 7 | 3.5 | C[C@H]1CN(c2ccc(C(=O)N(C)C)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| CHEMBL410527 | 159219 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 499 | 6 | 2 | 7 | 3.5 | C[C@H]1CN(c2ccc(C(=O)N(C)C)c(NS(=O)(=O)c3ccc(-c4ccccn4)s3)c2)C[C@@H](C)N1 | 10.1016/j.bmcl.2007.12.021 | ||
| 10437444 | 112370 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 11 | 2 | 4 | 3.8 | CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL330989 | 112370 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 11 | 2 | 4 | 3.8 | CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 24969603 | 68697 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 520 | 3 | 3 | 5 | 2.4 | Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1 | 10.1021/jm2007062 | ||
| CHEMBL1923627 | 68697 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 520 | 3 | 3 | 5 | 2.4 | Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1 | 10.1021/jm2007062 | ||
| 162649450 | 179464 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 725 | 14 | 3 | 10 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4747770 | 179464 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 725 | 14 | 3 | 10 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 156013130 | 176918 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639514 | 176918 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44450100 | 160096 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 511 | 14 | 4 | 10 | 0.6 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1cccc(C(=O)NCCO)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| CHEMBL411330 | 160096 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 511 | 14 | 4 | 10 | 0.6 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1cccc(C(=O)NCCO)c1 | 10.1016/j.bmcl.2008.03.059 | ||
| 44411720 | 10195 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161826 | 10195 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44411902 | 10199 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161831 | 10199 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44411720 | 10195 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161826 | 10195 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 44411902 | 10199 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| CHEMBL1161831 | 10199 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1016/j.bmc.2007.01.057 | ||
| 162656896 | 180268 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 669 | 14 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2cccs2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4757313 | 180268 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 669 | 14 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2cccs2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44436883 | 145608 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 604 | 11 | 6 | 7 | 3.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)cc1 | 10.1021/jm0704550 | ||
| CHEMBL391980 | 145608 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 604 | 11 | 6 | 7 | 3.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)cc1 | 10.1021/jm0704550 | ||
| 156010733 | 176496 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633062 | 176496 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 10745674 | 167380 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 572 | 13 | 3 | 5 | 3.5 | C[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL431668 | 167380 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 572 | 13 | 3 | 5 | 3.5 | C[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 44579776 | 192638 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 7 | 1 | 3 | 3.5 | Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL523795 | 192638 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 7 | 1 | 3 | 3.5 | Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 127048061 | 139193 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 903 | 24 | 7 | 11 | 5.9 | COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798337 | 139193 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 903 | 24 | 7 | 11 | 5.9 | COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 23730340 | 89297 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 504 | 15 | 4 | 10 | 0.4 | CC(=O)NCCCCNC(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1021/jm7010595 | ||
| CHEMBL237700 | 89297 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 504 | 15 | 4 | 10 | 0.4 | CC(=O)NCCCCNC(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1021/jm7010595 | ||
| 56926175 | 68656 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923504 | 68656 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 145992835 | 166270 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cncnc4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4285075 | 166270 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cncnc4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 56925343 | 68709 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 550 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923640 | 68709 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 550 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 145986870 | 166576 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 505 | 6 | 1 | 4 | 5.9 | COc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(OC)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4290627 | 166576 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 505 | 6 | 1 | 4 | 5.9 | COc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(OC)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44434054 | 88860 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2cccc(NS(C)(=O)=O)c2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236857 | 88860 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2cccc(NS(C)(=O)=O)c2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44446178 | 154572 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL402023 | 154572 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL3578016 | 210010 | 0 | None | -15 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 162648837 | 179248 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 706 | 15 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4745116 | 179248 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 706 | 15 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44391024 | 63939 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 527 | 11 | 1 | 4 | 5.2 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180992 | 63939 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 527 | 11 | 1 | 4 | 5.2 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)Cc1ccccc1)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 10745674 | 167380 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 572 | 13 | 3 | 5 | 3.5 | C[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| CHEMBL431668 | 167380 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 572 | 13 | 3 | 5 | 3.5 | C[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm980197u | ||
| 44391021 | 19238 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 569 | 12 | 1 | 5 | 5.3 | CC(=O)C(C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL129637 | 19238 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 569 | 12 | 1 | 5 | 5.3 | CC(=O)C(C(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C)c1ccccc1 | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL2170696 | 207601 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 23730343 | 89459 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 475 | 12 | 3 | 10 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NC[C@H]1CCCO1 | 10.1021/jm7010595 | ||
| CHEMBL237917 | 89459 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 475 | 12 | 3 | 10 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NC[C@H]1CCCO1 | 10.1021/jm7010595 | ||
| 22888359 | 63570 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 520 | 10 | 1 | 6 | 4.8 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C#N)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| CHEMBL180591 | 63570 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 520 | 10 | 1 | 6 | 4.8 | CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C#N)C(C)C | 10.1016/j.bmcl.2005.02.040 | ||
| 16114514 | 78733 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 | 10.1021/jm0704550 | ||
| CHEMBL2113322 | 78733 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 | 10.1021/jm0704550 | ||
| 44579843 | 184160 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL485092 | 184160 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 358 | 6 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579643 | 186179 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 7 | 1 | 3 | 3.2 | CC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL488971 | 186179 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 7 | 1 | 3 | 3.2 | CC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579822 | 191916 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL520953 | 191916 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44579755 | 186350 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 8 | 1 | 3 | 3.6 | CCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL490186 | 186350 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 352 | 8 | 1 | 3 | 3.6 | CCC(Oc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44580032 | 186242 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 363 | 7 | 1 | 4 | 3.3 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(CC#N)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489398 | 186242 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 363 | 7 | 1 | 4 | 3.3 | CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1ccc(CC#N)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 145991945 | 166251 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CCN(C(=O)N[C@@H](C)c1ccc(C#CC2CC2)c(Cl)c1Cl)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4284715 | 166251 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CCN(C(=O)N[C@@H](C)c1ccc(C#CC2CC2)c(Cl)c1Cl)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 145992253 | 166364 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 595 | 6 | 1 | 6 | 6.4 | COC(=O)c1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4286849 | 166364 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 595 | 6 | 1 | 6 | 6.4 | COC(=O)c1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL2170702 | 207607 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 145993313 | 166328 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 577 | 7 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3cccc(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4286101 | 166328 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 577 | 7 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3cccc(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 16114008 | 84408 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccccc1Cn1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL223532 | 84408 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccccc1Cn1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL501261 | 212354 | 19 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.8b01644 | ||||
| 9848305 | 144907 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccc(NS(C)(=O)=O)cc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL391429 | 144907 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccc(NS(C)(=O)=O)cc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434050 | 144905 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL391428 | 144905 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL3578015 | 210009 | 0 | None | -33 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| CHEMBL369482 | 210406 | 0 | None | - | 0 | Rat | 8.0 | pED50 | = | 8 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cn1ccnc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/S0960-894X(01)80239-0 | ||||
| 44269087 | 97762 | 0 | None | - | 1 | Rat | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 553 | 10 | 4 | 7 | 3.2 | CC(C)(NCCCO)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O | 10.1016/S0960-894X(01)80239-0 | ||
| CHEMBL274341 | 97762 | 0 | None | - | 1 | Rat | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 553 | 10 | 4 | 7 | 3.2 | CC(C)(NCCCO)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O | 10.1016/S0960-894X(01)80239-0 | ||
| 70691550 | 72838 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 572 | 8 | 2 | 5 | 5.1 | Cc1cc(F)ccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011825 | 72838 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 572 | 8 | 2 | 5 | 5.1 | Cc1cc(F)ccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| 16114292 | 96473 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL266063 | 96473 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 25260901 | 112968 | 1 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 577 | 5 | 2 | 9 | 3.6 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL3319405 | 112968 | 1 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 577 | 5 | 2 | 9 | 3.6 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/acs.jmedchem.1c02191 | ||
| 71456897 | 81424 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 513 | 5 | 2 | 3 | 5.7 | CCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164507 | 81424 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 513 | 5 | 2 | 3 | 5.7 | CCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 70691551 | 72839 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 568 | 8 | 2 | 5 | 5.3 | Cc1cccc(C)c1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011826 | 72839 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 568 | 8 | 2 | 5 | 5.3 | Cc1cccc(C)c1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| 25261382 | 112929 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 535 | 7 | 2 | 8 | 3.3 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL3319215 | 112929 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 535 | 7 | 2 | 8 | 3.3 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/acs.jmedchem.1c02191 | ||
| 11431274 | 76976 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 467 | 9 | 3 | 8 | 3.8 | CC(C)=CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL208424 | 76976 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 467 | 9 | 3 | 8 | 3.8 | CC(C)=CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11577349 | 64885 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 529 | 9 | 1 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCN(C)C2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL182655 | 64885 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 529 | 9 | 1 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCN(C)C2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11351838 | 77282 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 468 | 8 | 4 | 6 | 4.9 | CC(NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1)c1ccccc1 | 10.1021/jm060461g | ||
| CHEMBL208842 | 77282 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 468 | 8 | 4 | 6 | 4.9 | CC(NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1)c1ccccc1 | 10.1021/jm060461g | ||
| 11712151 | 75625 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 453 | 9 | 3 | 7 | 4.8 | CC(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205470 | 75625 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 453 | 9 | 3 | 7 | 4.8 | CC(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 11713497 | 122708 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 531 | 9 | 1 | 6 | 6.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL361349 | 122708 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 531 | 9 | 1 | 6 | 6.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409757 | 140780 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 506 | 8 | 3 | 8 | 4.1 | CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383454 | 140780 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 506 | 8 | 3 | 8 | 4.1 | CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 127046807 | 139397 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799671 | 139397 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 3676358 | 5444 | 4 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 409 | 3 | 1 | 2 | 4.4 | O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1076586 | 5444 | 4 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 409 | 3 | 1 | 2 | 4.4 | O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122182047 | 121475 | 0 | None | -67 | 2 | Rat | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593636 | 121475 | 0 | None | -67 | 2 | Rat | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 122178603 | 120812 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 590 | 11 | 2 | 6 | 6.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581036 | 120812 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 590 | 11 | 2 | 6 | 6.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11649248 | 66322 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 515 | 9 | 1 | 5 | 7.2 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL185399 | 66322 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 515 | 9 | 1 | 5 | 7.2 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44395020 | 123501 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 507 | 9 | 1 | 5 | 6.1 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363021 | 123501 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 507 | 9 | 1 | 5 | 6.1 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44389262 | 121505 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 479 | 6 | 2 | 4 | 6.1 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL359506 | 121505 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 479 | 6 | 2 | 4 | 6.1 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145993628 | 166826 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 483 | 4 | 1 | 2 | 6.1 | C#Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(C)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4295148 | 166826 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 483 | 4 | 1 | 2 | 6.1 | C#Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(C)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 11211892 | 79791 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 405 | 8 | 3 | 6 | 4.0 | CC(C)CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL213703 | 79791 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 405 | 8 | 3 | 6 | 4.0 | CC(C)CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| 122178611 | 120821 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 572 | 11 | 3 | 7 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581044 | 120821 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 572 | 11 | 3 | 7 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11846624 | 77548 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 490 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(C1CCCC1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| CHEMBL209443 | 77548 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 490 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(C1CCCC1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| 11846463 | 138699 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 422 | 5 | 2 | 8 | 2.7 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)ncn2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| CHEMBL378909 | 138699 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 422 | 5 | 2 | 8 | 2.7 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)ncn2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| 11430392 | 76356 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 431 | 6 | 3 | 7 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 | 10.1021/jm0510934 | ||
| CHEMBL206588 | 76356 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 431 | 6 | 3 | 7 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 | 10.1021/jm0510934 | ||
| 57797614 | 72830 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 558 | 8 | 2 | 5 | 4.8 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011817 | 72830 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 558 | 8 | 2 | 5 | 4.8 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 44409801 | 76365 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 5 | 3 | 7 | 3.6 | CC(C)(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206638 | 76365 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 425 | 5 | 3 | 7 | 3.6 | CC(C)(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11523411 | 75189 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 363 | 6 | 4 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204511 | 75189 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 363 | 6 | 4 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)O)cc2)cc1 | 10.1021/jm0510934 | ||
| 11537800 | 75201 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 361 | 6 | 3 | 6 | 3.7 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204564 | 75201 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 361 | 6 | 3 | 6 | 3.7 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 71453392 | 81421 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 514 | 5 | 2 | 4 | 4.2 | CN(C)[C@H]1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164504 | 81421 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 514 | 5 | 2 | 4 | 4.2 | CN(C)[C@H]1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 | 10.1016/j.bmc.2012.07.018 | ||
| 71456910 | 81475 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 480 | 5 | 2 | 4 | 3.6 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164823 | 81475 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 480 | 5 | 2 | 4 | 3.6 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 71460578 | 81482 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164830 | 81482 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 122178612 | 120822 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 572 | 11 | 2 | 6 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581045 | 120822 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 572 | 11 | 2 | 6 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL507636 | 212652 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 56942387 | 139119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 579 | 13 | 4 | 7 | 4.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797857 | 139119 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 579 | 13 | 4 | 7 | 4.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 145991822 | 166395 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 6.8 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4287267 | 166395 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 6.8 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 11676995 | 65816 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 461 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCOC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184258 | 65816 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 461 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCOC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 127048038 | 139429 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799862 | 139429 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 71458746 | 81411 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1ccc2c(c1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164493 | 81411 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1ccc2c(c1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2 | 10.1016/j.bmc.2012.07.018 | ||
| 145992142 | 166207 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 475 | 4 | 2 | 3 | 5.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(O)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4283858 | 166207 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 475 | 4 | 2 | 3 | 5.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(O)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 71460565 | 81413 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1cccc(Cl)c1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164495 | 81413 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1cccc(Cl)c1 | 10.1016/j.bmc.2012.07.018 | ||
| 11538533 | 74636 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL203280 | 74636 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 46880462 | 6175 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)[C@@H](C)C3)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081648 | 6175 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)[C@@H](C)C3)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 70693641 | 72841 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 538 | 8 | 2 | 5 | 4.4 | O=C1CN([C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C2CC2)C(=O)c2cc(Oc3ccccc3)ccc2N1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011828 | 72841 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 538 | 8 | 2 | 5 | 4.4 | O=C1CN([C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C2CC2)C(=O)c2cc(Oc3ccccc3)ccc2N1 | 10.1016/j.bmcl.2012.01.014 | ||
| 44409756 | 76399 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 8 | 4 | 8 | 4.1 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccc(F)cc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206820 | 76399 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 8 | 4 | 8 | 4.1 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccc(F)cc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46865987 | 7501 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 442 | 3 | 1 | 3 | 4.4 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3)c(F)c2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1087908 | 7501 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 442 | 3 | 1 | 3 | 4.4 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3)c(F)c2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 46880772 | 5819 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1079624 | 5819 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 11538534 | 74649 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL203373 | 74649 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 145986870 | 166576 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 505 | 6 | 1 | 4 | 5.9 | COc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(OC)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4290627 | 166576 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 505 | 6 | 1 | 4 | 5.9 | COc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(OC)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 127046806 | 139390 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 638 | 13 | 4 | 7 | 5.4 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799604 | 139390 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 638 | 13 | 4 | 7 | 5.4 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 122178613 | 120823 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 625 | 12 | 2 | 7 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N3CCCC3)cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581046 | 120823 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 625 | 12 | 2 | 7 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N3CCCC3)cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 145981196 | 165972 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 627 | 5 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)N[C@@H](C)c4ccc(-c5cnccn5)c(Cl)c4Cl)CC3)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4279344 | 165972 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 627 | 5 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)N[C@@H](C)c4ccc(-c5cnccn5)c(Cl)c4Cl)CC3)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 46880814 | 6285 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 413 | 3 | 2 | 3 | 3.5 | C[C@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082190 | 6285 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 413 | 3 | 2 | 3 | 3.5 | C[C@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122178616 | 120825 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581048 | 120825 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 145986461 | 166649 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4291926 | 166649 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 71451551 | 81425 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 460 | 5 | 2 | 4 | 3.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(C)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164508 | 81425 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 460 | 5 | 2 | 4 | 3.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(C)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 46880727 | 6053 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 458 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080939 | 6053 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 458 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122182190 | 121482 | 0 | None | -8 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593815 | 121482 | 0 | None | -8 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| 44409840 | 75974 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 500 | 7 | 3 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3CCc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205896 | 75974 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 500 | 7 | 3 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3CCc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 127047362 | 139176 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 590 | 11 | 5 | 7 | 4.7 | COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798204 | 139176 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 590 | 11 | 5 | 7 | 4.7 | COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 145989916 | 166182 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 491 | 5 | 2 | 4 | 5.6 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(O)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4283454 | 166182 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 491 | 5 | 2 | 4 | 5.6 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(O)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 127048038 | 139429 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799862 | 139429 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 46880673 | 6013 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 507 | 4 | 1 | 3 | 5.7 | C[C@H]1CN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080755 | 6013 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 507 | 4 | 1 | 3 | 5.7 | C[C@H]1CN(C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 11455251 | 160755 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 523 | 8 | 3 | 7 | 5.0 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3Br)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL412362 | 160755 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 523 | 8 | 3 | 7 | 5.0 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3Br)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 44409611 | 74323 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 463 | 6 | 3 | 7 | 4.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CC4CCC3C4)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203019 | 74323 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 463 | 6 | 3 | 7 | 4.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CC4CCC3C4)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11221946 | 140302 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL381942 | 140302 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| 44409839 | 75890 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 412 | 7 | 4 | 8 | 2.0 | CNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205847 | 75890 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 412 | 7 | 4 | 8 | 2.0 | CNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 71460576 | 81479 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3c(Cl)cc(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164828 | 81479 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3c(Cl)cc(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 11692087 | 62648 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178610 | 62648 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409758 | 75606 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 411 | 6 | 3 | 7 | 3.4 | CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205374 | 75606 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 411 | 6 | 3 | 7 | 3.4 | CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409661 | 75628 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 423 | 6 | 3 | 7 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205484 | 75628 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 423 | 6 | 3 | 7 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46880724 | 6166 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 437 | 3 | 1 | 2 | 5.1 | Cc1cc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H](C)C1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081611 | 6166 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 437 | 3 | 1 | 2 | 5.1 | Cc1cc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H](C)C1 | 10.1016/j.bmcl.2010.01.043 | ||
| 71455105 | 81478 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 2 | 4 | 2.6 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)ccc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164827 | 81478 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 432 | 4 | 2 | 4 | 2.6 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)ccc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 11221946 | 140302 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL381942 | 140302 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm060461g | ||
| 44410003 | 75813 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 468 | 10 | 4 | 8 | 3.5 | CC(C)CCNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205794 | 75813 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 468 | 10 | 4 | 8 | 3.5 | CC(C)CCNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46880811 | 5906 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3cccnc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080162 | 5906 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3cccnc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 70687379 | 72836 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 570 | 9 | 2 | 6 | 4.7 | COc1cccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)c1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011823 | 72836 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 570 | 9 | 2 | 6 | 4.7 | COc1cccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)c1 | 10.1016/j.bmcl.2012.01.014 | ||
| 44394974 | 66662 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 515 | 9 | 1 | 5 | 7.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCOCC2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL186974 | 66662 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 515 | 9 | 1 | 5 | 7.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCOCC2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL3586019 | 210044 | 4 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2015.04.040 | ||||
| 46880567 | 6295 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082210 | 6295 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 71460564 | 81410 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 488 | 4 | 2 | 4 | 3.9 | CN1CCN(CC(=O)NC2(c3ccc(C(C)(C)C)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164492 | 81410 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 488 | 4 | 2 | 4 | 3.9 | CN1CCN(CC(=O)NC2(c3ccc(C(C)(C)C)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 145992854 | 166302 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.0 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4285747 | 166302 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.0 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44394833 | 126291 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 542 | 9 | 1 | 5 | 6.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2C(=O)CCC2(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365460 | 126291 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 542 | 9 | 1 | 5 | 6.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2C(=O)CCC2(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 127047654 | 139434 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799883 | 139434 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 145993758 | 166751 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 490 | 5 | 2 | 4 | 5.4 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(N)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4294024 | 166751 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 490 | 5 | 2 | 4 | 5.4 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(N)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 145993528 | 166753 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 561 | 5 | 1 | 4 | 6.6 | C#Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4294083 | 166753 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 561 | 5 | 1 | 4 | 6.6 | C#Cc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL444131 | 212171 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | None | None | None | NC(=O)CNC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 | 10.1074/jbc.m609796200 | ||||
| 11476589 | 75620 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205451 | 75620 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 11329138 | 64114 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 9 | 1 | 5 | 5.1 | CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL181350 | 64114 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 9 | 1 | 5 | 5.1 | CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| 70681022 | 72845 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 8 | 2 | 5 | 5.4 | CC(C)[C@H](C(=O)N1CCC(NC(C)(C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011833 | 72845 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 8 | 2 | 5 | 5.4 | CC(C)[C@H](C(=O)N1CCC(NC(C)(C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 122178611 | 120821 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 572 | 11 | 3 | 7 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581044 | 120821 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 572 | 11 | 3 | 7 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 46880675 | 6051 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2F)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080927 | 6051 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2F)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 11612155 | 140465 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3csc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL382375 | 140465 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3csc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 328912 | 62232 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 505 | 5 | 1 | 4 | 7.0 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1CC1c2ccccc2CCN1C | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178266 | 62232 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 505 | 5 | 1 | 4 | 7.0 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1CC1c2ccccc2CCN1C | 10.1016/j.bmcl.2004.11.075 | ||
| 70685218 | 72833 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 5.3 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011820 | 72833 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 5.3 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 145981794 | 166132 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 567 | 6 | 1 | 5 | 6.6 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4282394 | 166132 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 567 | 6 | 1 | 5 | 6.6 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 11649239 | 65993 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 514 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL185057 | 65993 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 514 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL501261 | 212354 | 19 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCNC(=N)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 1744826 | 62654 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL178668 | 62654 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11282247 | 165362 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL425048 | 165362 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 11282247 | 165362 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL425048 | 165362 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 1744826 | 62654 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178668 | 62654 | 17 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409831 | 75331 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 9 | 3.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3COc4ccccc4O3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204776 | 75331 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 9 | 3.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3COc4ccccc4O3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145979268 | 166100 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 7.4 | COc1ccc([C@H](CC2CC2)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4281647 | 166100 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 607 | 8 | 1 | 5 | 7.4 | COc1ccc([C@H](CC2CC2)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 44409678 | 140673 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 490 | 9 | 3 | 9 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3cccnc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL382853 | 140673 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 490 | 9 | 3 | 9 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3cccnc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11349789 | 78348 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 389 | 7 | 3 | 6 | 3.4 | Nc1nc(N)c(-c2ccc(NC(=O)C3CC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL211265 | 78348 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 389 | 7 | 3 | 6 | 3.4 | Nc1nc(N)c(-c2ccc(NC(=O)C3CC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 11692087 | 62648 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL178610 | 62648 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11677781 | 124525 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 502 | 9 | 1 | 5 | 5.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN(C)C(C)=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL364430 | 124525 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 502 | 9 | 1 | 5 | 5.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN(C)C(C)=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11538533 | 74636 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL203280 | 74636 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm060461g | ||
| 11154823 | 75661 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 436 | 8 | 3 | 7 | 4.5 | N#Cc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205660 | 75661 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 436 | 8 | 3 | 7 | 4.5 | N#Cc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 56942244 | 124664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645259 | 124664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44409994 | 75814 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 409 | 6 | 3 | 7 | 3.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205796 | 75814 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 409 | 6 | 3 | 7 | 3.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 44395002 | 65840 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 534 | 9 | 1 | 5 | 5.6 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184368 | 65840 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 534 | 9 | 1 | 5 | 5.6 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11646276 | 75566 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205136 | 75566 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| 127046807 | 139397 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799671 | 139397 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 16113695 | 136490 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL374643 | 136490 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 145987684 | 166713 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CC[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4293331 | 166713 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CC[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 122178602 | 120811 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581035 | 120811 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 70681020 | 72842 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011829 | 72842 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 56942098 | 124660 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645255 | 124660 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942242 | 124662 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645257 | 124662 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127046956 | 139414 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 631 | 12 | 3 | 7 | 5.5 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799776 | 139414 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 631 | 12 | 3 | 7 | 5.5 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 66788278 | 124659 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645254 | 124659 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127046956 | 139414 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 631 | 12 | 3 | 7 | 5.5 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799776 | 139414 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 631 | 12 | 3 | 7 | 5.5 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 57797640 | 72864 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 510 | 9 | 1 | 3 | 7.1 | CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCCc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011892 | 72864 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 510 | 9 | 1 | 3 | 7.1 | CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCCc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 46880628 | 5940 | 0 | None | 4 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080389 | 5940 | 0 | None | 4 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122178606 | 120815 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581039 | 120815 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 46880629 | 5966 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 457 | 3 | 1 | 2 | 5.5 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080556 | 5966 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 457 | 3 | 1 | 2 | 5.5 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122178606 | 120815 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581039 | 120815 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 70681021 | 72844 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 554 | 8 | 2 | 5 | 5.2 | CC(C)[C@H](C(=O)N1CCC(N[C@H](C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011832 | 72844 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 554 | 8 | 2 | 5 | 5.2 | CC(C)[C@H](C(=O)N1CCC(N[C@H](C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 70691552 | 72846 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 560 | 8 | 2 | 5 | 5.4 | CC(C)[C@H](C(=O)N1CCC(N[C@H](C)C2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011834 | 72846 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 560 | 8 | 2 | 5 | 5.4 | CC(C)[C@H](C(=O)N1CCC(N[C@H](C)C2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 122178607 | 120817 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 592 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581040 | 120817 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 592 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 46880631 | 6043 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 437 | 3 | 1 | 2 | 5.1 | Cc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080907 | 6043 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 437 | 3 | 1 | 2 | 5.1 | Cc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| 46880726 | 6052 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080938 | 6052 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 70689441 | 72863 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 525 | 9 | 2 | 4 | 6.1 | CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011891 | 72863 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 525 | 9 | 2 | 4 | 6.1 | CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 145988582 | 166727 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 555 | 4 | 1 | 2 | 7.4 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#C[Si](C)(C)C)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4293608 | 166727 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 555 | 4 | 1 | 2 | 7.4 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#C[Si](C)(C)C)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 122178610 | 120820 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581043 | 120820 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44409666 | 75519 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 437 | 6 | 3 | 7 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204897 | 75519 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 437 | 6 | 3 | 7 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL500703 | 212339 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 44409802 | 76376 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206687 | 76376 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122178613 | 120823 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 625 | 12 | 2 | 7 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N3CCCC3)cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581046 | 120823 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 625 | 12 | 2 | 7 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N3CCCC3)cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 71458747 | 81412 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164494 | 81412 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| 56942244 | 124664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645259 | 124664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 11537683 | 75161 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 354 | 5 | 3 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204352 | 75161 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 354 | 5 | 3 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| 71449740 | 81414 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 480 | 4 | 2 | 4 | 3.5 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164497 | 81414 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 480 | 4 | 2 | 4 | 3.5 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmc.2012.07.018 | ||
| 122178601 | 120810 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581034 | 120810 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11337482 | 76272 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206399 | 76272 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| 122178614 | 120824 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 660 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581047 | 120824 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 660 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44389168 | 64527 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 4 | 1 | 4 | 5.8 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL182154 | 64527 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 4 | 1 | 4 | 5.8 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145991389 | 166440 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 601 | 6 | 1 | 6 | 6.5 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4288108 | 166440 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 601 | 6 | 1 | 6 | 6.5 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 145990051 | 166391 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 499 | 5 | 1 | 2 | 7.0 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C3CC3)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4287218 | 166391 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 499 | 5 | 1 | 2 | 7.0 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C3CC3)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44410012 | 137858 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL377305 | 137858 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 71462272 | 81419 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 4.6 | CN(C)C1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164502 | 81419 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 4.6 | CN(C)C1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 71451563 | 81484 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 500 | 4 | 2 | 4 | 3.9 | CN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164832 | 81484 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 500 | 4 | 2 | 4 | 3.9 | CN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 145988286 | 166642 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 542 | 6 | 1 | 6 | 5.4 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-n5nccn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4291718 | 166642 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 542 | 6 | 1 | 6 | 5.4 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-n5nccn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 46880813 | 6284 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 4.4 | Cc1noc(C)c1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082189 | 6284 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 4.4 | Cc1noc(C)c1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| 44409761 | 75498 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 453 | 9 | 3 | 7 | 4.4 | CCc1nc(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204880 | 75498 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 453 | 9 | 3 | 7 | 4.4 | CCc1nc(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11846625 | 77516 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 498 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| CHEMBL209394 | 77516 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 498 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| 122178610 | 120820 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581043 | 120820 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 46880461 | 6143 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 4.4 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081483 | 6143 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 4.4 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 71453391 | 81420 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 514 | 5 | 2 | 4 | 4.2 | CN(C)[C@@H]1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164503 | 81420 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 514 | 5 | 2 | 4 | 4.2 | CN(C)[C@@H]1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 | 10.1016/j.bmc.2012.07.018 | ||
| 1221269 | 121507 | 12 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL359530 | 121507 | 12 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44389151 | 62161 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 445 | 6 | 1 | 4 | 5.7 | CCN(CC)C(=O)c1ccccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178138 | 62161 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 445 | 6 | 1 | 4 | 5.7 | CCN(CC)C(=O)c1ccccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| 71451564 | 81486 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164834 | 81486 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)C(NC(=O)CN1CCN(C)CC1)(c1ccc(Cl)cc1)C(=O)N2 | 10.1016/j.bmc.2012.07.018 | ||
| 71449753 | 81476 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 465 | 4 | 2 | 3 | 4.7 | CC1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164825 | 81476 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 465 | 4 | 2 | 3 | 4.7 | CC1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 44409871 | 75031 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 3 | 8 | 2.4 | CN(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203948 | 75031 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 426 | 7 | 3 | 8 | 2.4 | CN(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46880569 | 6097 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081212 | 6097 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| 70693640 | 72835 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 570 | 9 | 2 | 6 | 4.7 | COc1ccccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011822 | 72835 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 570 | 9 | 2 | 6 | 4.7 | COc1ccccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL449590 | 212202 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 145994299 | 166831 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 523 | 5 | 1 | 4 | 6.1 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3cccc(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4295212 | 166831 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 523 | 5 | 1 | 4 | 6.1 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3cccc(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 71460577 | 81480 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 500 | 4 | 2 | 4 | 3.9 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164829 | 81480 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 500 | 4 | 2 | 4 | 3.9 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)c(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 16113902 | 137138 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL375859 | 137138 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 71462274 | 81423 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 3.8 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1=O | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164506 | 81423 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 3.8 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1=O | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 70683143 | 72834 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 5.3 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011821 | 72834 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 5.3 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 46880495 | 6277 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)C[C@@H]3C)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082162 | 6277 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)C[C@@H]3C)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 11697618 | 62255 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 427 | 6 | 1 | 4 | 5.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Br)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178289 | 62255 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 427 | 6 | 1 | 4 | 5.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Br)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145988557 | 166696 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 523 | 4 | 1 | 2 | 6.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#CC3CC3)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4292914 | 166696 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 523 | 4 | 1 | 2 | 6.9 | Cc1ccc2c(c1)CCC2N1CCC(N(C)C(=O)N[C@@H](C)c2ccc(C#CC3CC3)c(Cl)c2Cl)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44409771 | 140709 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 461 | 6 | 3 | 7 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3CC4C=CC3C4)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383073 | 140709 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 461 | 6 | 3 | 7 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3CC4C=CC3C4)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145980333 | 166017 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 577 | 6 | 1 | 4 | 7.5 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4280040 | 166017 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 577 | 6 | 1 | 4 | 7.5 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 11329138 | 64114 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 481 | 9 | 1 | 5 | 5.1 | CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL181350 | 64114 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 481 | 9 | 1 | 5 | 5.1 | CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 | 10.1021/jm0491750 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 11568561 | 168976 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 5 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL443560 | 168976 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 5 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145991945 | 166251 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CCN(C(=O)N[C@@H](C)c1ccc(C#CC2CC2)c(Cl)c1Cl)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4284715 | 166251 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 615 | 6 | 1 | 4 | 7.8 | CCN(C(=O)N[C@@H](C)c1ccc(C#CC2CC2)c(Cl)c1Cl)C1CCN(C2CCc3cc(-c4cc(C)ncn4)ccc32)CC1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44394982 | 65792 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 523 | 9 | 1 | 6 | 5.7 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184093 | 65792 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 523 | 9 | 1 | 6 | 5.7 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 66788278 | 124659 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645254 | 124659 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942099 | 124661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645256 | 124661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942243 | 124663 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645258 | 124663 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127045858 | 139319 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 618 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799225 | 139319 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 618 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 70681018 | 72832 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 554 | 8 | 2 | 5 | 5.0 | Cc1ccccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011819 | 72832 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 554 | 8 | 2 | 5 | 5.0 | Cc1ccccc1Oc1ccc2c(c1)C(=O)N([C@@H](C(=O)NC1CCN(Cc3ccccc3)CC1)C(C)C)CC(=O)N2 | 10.1016/j.bmcl.2012.01.014 | ||
| 70685225 | 72866 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 576 | 8 | 2 | 5 | 5.0 | CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011894 | 72866 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 576 | 8 | 2 | 5 | 5.0 | CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 11410373 | 137993 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 558 | 10 | 4 | 8 | 4.2 | Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL377514 | 137993 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 558 | 10 | 4 | 8 | 4.2 | Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11339816 | 75639 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 8 | 3 | 7 | 4.7 | Nc1nc(N)c(-c2ccc(NCc3ccnc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205521 | 75639 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 8 | 3 | 7 | 4.7 | Nc1nc(N)c(-c2ccc(NCc3ccnc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 145992253 | 166364 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 595 | 6 | 1 | 6 | 6.4 | COC(=O)c1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4286849 | 166364 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 595 | 6 | 1 | 6 | 6.4 | COC(=O)c1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(-c5cc(C)ncn5)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 11503585 | 64858 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 461 | 9 | 2 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCCO)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL182542 | 64858 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 461 | 9 | 2 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCCO)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44409762 | 75518 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 9 | 4 | 8 | 2.7 | CCc1nc(N)nc(NCCO)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204884 | 75518 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 9 | 4 | 8 | 2.7 | CCc1nc(N)nc(NCCO)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122180026 | 121060 | 0 | None | 8 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 566 | 7 | 2 | 7 | 4.4 | CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586032 | 121060 | 0 | None | 8 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 566 | 7 | 2 | 7 | 4.4 | CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 46880846 | 7516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 442 | 3 | 1 | 3 | 4.4 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1088038 | 7516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 442 | 3 | 1 | 3 | 4.4 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 44389248 | 121641 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 2 | 5 | 5.0 | CCN(CCO)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL359714 | 121641 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 433 | 7 | 2 | 5 | 5.0 | CCN(CCO)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 70695749 | 72848 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 562 | 9 | 2 | 6 | 4.3 | CC(C)[C@H](C(=O)N1CCC(NCCC2CCOCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011836 | 72848 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 562 | 9 | 2 | 6 | 4.3 | CC(C)[C@H](C(=O)N1CCC(NCCC2CCOCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 122178614 | 120824 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 660 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581047 | 120824 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 660 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 70695748 | 72840 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 498 | 7 | 2 | 5 | 3.7 | O=C1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)C(=O)c2cc(Oc3ccccc3)ccc2N1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011827 | 72840 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 498 | 7 | 2 | 5 | 3.7 | O=C1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)C(=O)c2cc(Oc3ccccc3)ccc2N1 | 10.1016/j.bmcl.2012.01.014 | ||
| 145981687 | 166013 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 509 | 5 | 1 | 3 | 6.5 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(Cl)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4279987 | 166013 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 509 | 5 | 1 | 3 | 6.5 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(Cl)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 11508639 | 76167 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206091 | 76167 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| 44409683 | 75891 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 480 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205848 | 75891 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 480 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11626181 | 123849 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 431 | 7 | 1 | 4 | 6.3 | CCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363896 | 123849 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 431 | 7 | 1 | 4 | 6.3 | CCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11690097 | 76304 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206446 | 76304 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 411 | 6 | 2 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 44409775 | 75657 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 8 | 3 | 7 | 3.7 | CCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205605 | 75657 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 8 | 3 | 7 | 3.7 | CCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 11655355 | 74057 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)s3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL202642 | 74057 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)s3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 127047654 | 139434 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799883 | 139434 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 16113799 | 168137 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL436849 | 168137 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 145986080 | 165888 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 489 | 5 | 1 | 3 | 6.2 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(C)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4277793 | 165888 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 489 | 5 | 1 | 3 | 6.2 | COc1ccc([C@H](C)NC(=O)N(C)C2CCN(C3CCc4cc(C)ccc43)CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 56942385 | 124665 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645260 | 124665 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 46880771 | 5818 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 448 | 3 | 1 | 4 | 4.4 | C[C@H]1CN(C(=O)c2csc(-c3ccccc3F)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1079623 | 5818 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 448 | 3 | 1 | 4 | 4.4 | C[C@H]1CN(C(=O)c2csc(-c3ccccc3F)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 11654867 | 75833 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 429 | 7 | 3 | 5 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205833 | 75833 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 429 | 7 | 3 | 5 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 122178600 | 120809 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581033 | 120809 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 46880844 | 7500 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 3 | 1 | 4 | 3.0 | C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1087907 | 7500 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 432 | 3 | 1 | 4 | 3.0 | C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 11248021 | 138712 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 454 | 8 | 4 | 6 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)NCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL378989 | 138712 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 454 | 8 | 4 | 6 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)NCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 122182189 | 121481 | 0 | None | -7 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593814 | 121481 | 0 | None | -7 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 44409865 | 140174 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 500 | 7 | 3 | 8 | 3.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3Cc4ccccc4C3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL381759 | 140174 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 500 | 7 | 3 | 8 | 3.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3Cc4ccccc4C3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11751384 | 140962 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 453 | 9 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL384524 | 140962 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 453 | 9 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 44409679 | 75142 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 8 | 4 | 8 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204322 | 75142 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 466 | 8 | 4 | 8 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409868 | 76374 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 487 | 9 | 3 | 7 | 4.9 | CCc1nc(N)nc(NCc2ccccc2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206673 | 76374 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 487 | 9 | 3 | 7 | 4.9 | CCc1nc(N)nc(NCc2ccccc2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409667 | 75601 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 451 | 6 | 3 | 7 | 4.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205294 | 75601 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 451 | 6 | 3 | 7 | 4.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3CCCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 56942388 | 139400 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799687 | 139400 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 11166495 | 75184 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 437 | 8 | 2 | 7 | 4.5 | N#Cc1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204474 | 75184 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 437 | 8 | 2 | 7 | 4.5 | N#Cc1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 145994050 | 166780 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 615 | 6 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4294493 | 166780 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 615 | 6 | 1 | 6 | 7.1 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 11538533 | 74636 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203280 | 74636 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46880770 | 5817 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 458 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)cn2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1079622 | 5817 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 458 | 3 | 1 | 3 | 4.9 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)cn2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 71453390 | 81417 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.4 | C=CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164500 | 81417 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.4 | C=CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 44409763 | 140821 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 487 | 6 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3Cc4ccccc4O3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383757 | 140821 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 487 | 6 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3Cc4ccccc4O3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409989 | 165262 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 467 | 11 | 3 | 7 | 4.8 | CCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL424860 | 165262 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 467 | 11 | 3 | 7 | 4.8 | CCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44410008 | 140707 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 9 | 2 | 7 | 4.2 | CCc1nc(N)nc(N(CC)CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383058 | 140707 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 9 | 2 | 7 | 4.2 | CCc1nc(N)nc(N(CC)CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11178309 | 79476 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 445 | 8 | 3 | 7 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL212415 | 79476 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 445 | 8 | 3 | 7 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 11517629 | 167764 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL434330 | 167764 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 127047655 | 139071 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797531 | 139071 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127046957 | 139164 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 649 | 12 | 3 | 7 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798155 | 139164 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 649 | 12 | 3 | 7 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127045858 | 139319 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 618 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799225 | 139319 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 618 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942098 | 124660 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645255 | 124660 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127046957 | 139164 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 649 | 12 | 3 | 7 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798155 | 139164 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 649 | 12 | 3 | 7 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 46880630 | 6006 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 3 | 1 | 2 | 5.8 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080735 | 6006 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 3 | 1 | 2 | 5.8 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 70685219 | 72847 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 560 | 9 | 2 | 5 | 5.4 | CC(C)[C@H](C(=O)N1CCC(NCCC2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011835 | 72847 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 560 | 9 | 2 | 5 | 5.4 | CC(C)[C@H](C(=O)N1CCC(NCCC2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 16113245 | 120807 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581030 | 120807 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 122178607 | 120817 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 592 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581040 | 120817 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 592 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11452801 | 138755 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 417 | 7 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL379191 | 138755 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 417 | 7 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 46882763 | 5537 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 17 | 6 | 7 | 5.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1077617 | 5537 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 17 | 6 | 7 | 5.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44409776 | 76775 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 7 | 3 | 7 | 3.5 | CC(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL207754 | 76775 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 7 | 3 | 7 | 3.5 | CC(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145991797 | 166352 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 613 | 5 | 1 | 6 | 6.5 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)NCc4ccc(-c5cnccn5)c(Cl)c4Cl)CC3)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4286597 | 166352 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 613 | 5 | 1 | 6 | 6.5 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)NCc4ccc(-c5cnccn5)c(Cl)c4Cl)CC3)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 122178616 | 120825 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581048 | 120825 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11430583 | 79792 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 8 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL213704 | 79792 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 8 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 11669486 | 64268 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 6.6 | CCc1cc(N(CC)CC)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181736 | 64268 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 6.6 | CCc1cc(N(CC)CC)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| 44409946 | 139272 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 514 | 7 | 3 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3CCc4ccccc4C3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL379887 | 139272 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 514 | 7 | 3 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3CCc4ccccc4C3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 127046806 | 139390 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 638 | 13 | 4 | 7 | 5.4 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799604 | 139390 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 638 | 13 | 4 | 7 | 5.4 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 122178600 | 120809 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581033 | 120809 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11605333 | 76357 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 7 | 3.6 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Br)c1 | 10.1021/jm0510934 | ||
| CHEMBL206589 | 76357 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 7 | 3.6 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Br)c1 | 10.1021/jm0510934 | ||
| 46880845 | 7515 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 460 | 3 | 1 | 3 | 4.5 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3F)c(F)c2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1088037 | 7515 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 460 | 3 | 1 | 3 | 4.5 | C[C@H]1CN(C(=O)c2ccc(-c3ccncc3F)c(F)c2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 46880773 | 6115 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3ccccn3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081301 | 6115 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 1 | 3 | 4.2 | C[C@H]1CN(C(=O)c2ccc(-c3ccccn3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122178604 | 120813 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581037 | 120813 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 56942387 | 139119 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 579 | 13 | 4 | 7 | 4.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797857 | 139119 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 579 | 13 | 4 | 7 | 4.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 11683469 | 76338 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 433 | 6 | 3 | 7 | 3.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206486 | 76338 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 433 | 6 | 3 | 7 | 3.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| 44389216 | 123323 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 442 | 6 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C#N)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL362595 | 123323 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 442 | 6 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C#N)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145979819 | 165909 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 655 | 8 | 1 | 6 | 7.9 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4278185 | 165909 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 655 | 8 | 1 | 6 | 7.9 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3ccc(-c4cnccn4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 46880498 | 5903 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 507 | 4 | 1 | 3 | 5.7 | C[C@H]1CN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080155 | 5903 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 507 | 4 | 1 | 3 | 5.7 | C[C@H]1CN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 71462273 | 81422 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 513 | 5 | 2 | 3 | 5.7 | CCN1CCCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164505 | 81422 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 513 | 5 | 2 | 3 | 5.7 | CCN1CCCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 | 10.1016/j.bmc.2012.07.018 | ||
| 71453404 | 81477 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164826 | 81477 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 44389283 | 62601 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 5.7 | CCN(C)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178494 | 62601 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 5.7 | CCN(C)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 11179347 | 76985 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.0 | CS(=O)(=O)c1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL208477 | 76985 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.0 | CS(=O)(=O)c1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 44409764 | 76781 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 488 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL207792 | 76781 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 488 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11606121 | 64230 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 523 | 6 | 2 | 6 | 5.9 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181584 | 64230 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 523 | 6 | 2 | 6 | 5.9 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.11.075 | ||
| 11539587 | 66727 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 8 | 1 | 4 | 6.7 | CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL187271 | 66727 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 8 | 1 | 4 | 6.7 | CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL3586019 | 210044 | 4 | None | - | 1 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2015.04.040 | ||||
| 122178608 | 120818 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 570 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581041 | 120818 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 570 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44409821 | 75669 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 564 | 10 | 4 | 8 | 4.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CCC(=O)NCc3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205711 | 75669 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 564 | 10 | 4 | 8 | 4.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CCC(=O)NCc3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11340044 | 140791 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL383522 | 140791 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 70683149 | 72861 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 504 | 8 | 2 | 5 | 3.9 | CC(C)[C@H](C(=O)N1CCC(NCC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011887 | 72861 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 504 | 8 | 2 | 5 | 3.9 | CC(C)[C@H](C(=O)N1CCC(NCC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 71452183 | 83102 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O | 10.1021/jm1012374 | ||
| CHEMBL2203623 | 83102 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O | 10.1021/jm1012374 | ||
| 122178602 | 120811 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581035 | 120811 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11582836 | 62569 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 431 | 7 | 1 | 4 | 6.4 | CCCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178463 | 62569 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 431 | 7 | 1 | 4 | 6.4 | CCCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44389192 | 168070 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 471 | 4 | 1 | 4 | 6.2 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL436275 | 168070 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 471 | 4 | 1 | 4 | 6.2 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| 71455106 | 81487 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 5 | 2 | 5 | 2.2 | COc1ccc(C2(NC(=O)CN3CCN(C)CC3)C(=O)Nc3cc(Cl)c(C)cc32)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164835 | 81487 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 5 | 2 | 5 | 2.2 | COc1ccc(C2(NC(=O)CN3CCN(C)CC3)C(=O)Nc3cc(Cl)c(C)cc32)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| 44409998 | 137994 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 7 | 3 | 8 | 2.5 | COCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL377515 | 137994 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 7 | 3 | 8 | 2.5 | COCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145984632 | 165827 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 629 | 5 | 1 | 4 | 8.0 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)C(C)(C)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4276775 | 165827 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 629 | 5 | 1 | 4 | 8.0 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)C(C)(C)C2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 10415364 | 126233 | 0 | None | -5 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365294 | 126233 | 0 | None | -5 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 15949382 | 74484 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 8 | 3.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3CCCO3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203158 | 74484 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 8 | 3.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3CCCO3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145993313 | 166328 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 577 | 7 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3cccc(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4286101 | 166328 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 577 | 7 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](CC3CC3)c3cccc(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 11605822 | 123856 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 9 | 1 | 6 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363930 | 123856 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 9 | 1 | 6 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11154001 | 79463 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 7 | 4 | 6 | 3.6 | CC(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL212354 | 79463 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 7 | 4 | 6 | 3.6 | CC(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| 44394930 | 65985 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2cccc3c2OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL185028 | 65985 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2cccc3c2OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11699004 | 65856 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184429 | 65856 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11618705 | 166374 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 6 | 1 | 4 | 5.3 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL428698 | 166374 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 6 | 1 | 4 | 5.3 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44409785 | 75435 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 6 | 3 | 8 | 3.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@H]3CCCO3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204852 | 75435 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 439 | 6 | 3 | 8 | 3.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@H]3CCCO3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409990 | 76149 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 481 | 12 | 3 | 7 | 5.2 | CCCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205995 | 76149 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 481 | 12 | 3 | 7 | 5.2 | CCCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145992125 | 166186 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 552 | 5 | 2 | 5 | 6.2 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(N)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4283504 | 166186 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 552 | 5 | 2 | 5 | 6.2 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(N)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 46880568 | 6296 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 423 | 3 | 1 | 2 | 4.8 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082211 | 6296 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 423 | 3 | 1 | 2 | 4.8 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 70687383 | 72862 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 525 | 9 | 2 | 4 | 6.6 | CC(C)[C@H](C[C@H]1CC[C@@H](NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011890 | 72862 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 525 | 9 | 2 | 4 | 6.6 | CC(C)[C@H](C[C@H]1CC[C@@H](NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 16113245 | 120807 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581030 | 120807 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 57422817 | 112937 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 620 | 8 | 2 | 10 | 3.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL3319223 | 112937 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 620 | 8 | 2 | 10 | 3.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/acs.jmedchem.1c02191 | ||
| 11190594 | 75617 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 469 | 10 | 3 | 8 | 3.9 | CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205445 | 75617 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 469 | 10 | 3 | 8 | 3.9 | CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 56942385 | 124665 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645260 | 124665 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 16113904 | 136499 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 550 | 12 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL374655 | 136499 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 550 | 12 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44389215 | 62734 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178838 | 62734 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 44409809 | 74700 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 453 | 10 | 3 | 7 | 4.4 | CCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203578 | 74700 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 453 | 10 | 3 | 7 | 4.4 | CCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16113468 | 141256 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL386218 | 141256 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 11531313 | 62160 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 7 | 1 | 6 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3[N+](=O)[O-])noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178137 | 62160 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 7 | 1 | 6 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3[N+](=O)[O-])noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44389167 | 123327 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 425 | 7 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL362612 | 123327 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 425 | 7 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 46880674 | 6050 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080926 | 6050 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 71455085 | 81418 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 514 | 4 | 2 | 4 | 4.3 | CN1CCCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164501 | 81418 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 514 | 4 | 2 | 4 | 4.3 | CN1CCCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 46880463 | 6176 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)[C@H](C)C3)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081649 | 6176 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)[C@H](C)C3)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 46880812 | 5929 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 430 | 3 | 1 | 4 | 4.3 | C[C@H]1CN(C(=O)c2ccc(-c3cncs3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080320 | 5929 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 430 | 3 | 1 | 4 | 4.3 | C[C@H]1CN(C(=O)c2ccc(-c3cncs3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 46880497 | 6279 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 423 | 3 | 1 | 2 | 4.8 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082164 | 6279 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 423 | 3 | 1 | 2 | 4.8 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 | 10.1016/j.bmcl.2010.01.043 | ||
| 44409770 | 140824 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 461 | 6 | 3 | 7 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@H]3CC4C=CC3C4)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383766 | 140824 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 461 | 6 | 3 | 7 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@H]3CC4C=CC3C4)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122178604 | 120813 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581037 | 120813 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 46880496 | 6278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)C[C@H]3C)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082163 | 6278 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)C[C@H]3C)cc2)c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL502208 | 212369 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 145980382 | 166079 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4281310 | 166079 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 44389186 | 64269 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 379 | 7 | 1 | 5 | 4.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3OC)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181739 | 64269 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 379 | 7 | 1 | 5 | 4.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3OC)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409864 | 75133 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 9 | 3 | 8 | 4.0 | CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204266 | 75133 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 9 | 3 | 8 | 4.0 | CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409975 | 75423 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 411 | 7 | 3 | 7 | 3.3 | CCc1nc(N)nc(NC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204835 | 75423 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 411 | 7 | 3 | 7 | 3.3 | CCc1nc(N)nc(NC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409455 | 75600 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 487 | 6 | 3 | 7 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205286 | 75600 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 487 | 6 | 3 | 7 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| 11441554 | 218 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 420 | 6 | 4 | 6 | 3.9 | O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N | 10.1021/jm060461g | ||
| 5871 | 218 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 420 | 6 | 4 | 6 | 3.9 | O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N | 10.1021/jm060461g | ||
| CHEMBL212761 | 218 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 420 | 6 | 4 | 6 | 3.9 | O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N | 10.1021/jm060461g | ||
| 11340329 | 79177 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 468 | 9 | 4 | 6 | 4.4 | Nc1nc(N)c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL211454 | 79177 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 468 | 9 | 4 | 6 | 4.4 | Nc1nc(N)c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 122178605 | 120814 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581038 | 120814 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 127047655 | 139071 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797531 | 139071 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 46880672 | 6104 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)[C@@H](C)C3)cc2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081254 | 6104 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 453 | 4 | 1 | 3 | 4.8 | COc1ccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc5cc[nH]c5c4)[C@@H](C)C3)cc2)cc1 | 10.1016/j.bmcl.2010.01.043 | ||
| 66601728 | 81415 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 514 | 5 | 2 | 4 | 4.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164499 | 81415 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 514 | 5 | 2 | 4 | 4.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 70689440 | 72831 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 554 | 8 | 2 | 5 | 5.0 | Cc1ccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011818 | 72831 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 554 | 8 | 2 | 5 | 5.0 | Cc1ccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| 70693644 | 72865 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 496 | 9 | 1 | 3 | 6.7 | CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011893 | 72865 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 496 | 9 | 1 | 3 | 6.7 | CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCc2ccc(Oc3ccc(F)cc3F)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 70695747 | 72829 | 0 | None | 1 | 2 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011816 | 72829 | 0 | None | 1 | 2 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 11225576 | 165473 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL425594 | 165473 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11225576 | 165473 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL425594 | 165473 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 122178608 | 120818 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 570 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581041 | 120818 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 570 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 122178609 | 120819 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 586 | 12 | 2 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581042 | 120819 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 586 | 12 | 2 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 56942388 | 139400 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799687 | 139400 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942535 | 139218 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 593 | 12 | 4 | 7 | 4.4 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798525 | 139218 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 593 | 12 | 4 | 7 | 4.4 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 11176805 | 76966 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 391 | 7 | 3 | 6 | 4.5 | CC(C)(C)CNc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL208374 | 76966 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 391 | 7 | 3 | 6 | 4.5 | CC(C)(C)CNc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm0510934 | ||
| 71453405 | 81485 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 462 | 5 | 2 | 5 | 2.6 | COc1ccc(C2(NC(=O)CN3CCN(C)CC3)C(=O)Nc3cc(Cl)c(Cl)cc32)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164833 | 81485 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 462 | 5 | 2 | 5 | 2.6 | COc1ccc(C2(NC(=O)CN3CCN(C)CC3)C(=O)Nc3cc(Cl)c(Cl)cc32)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| 44394913 | 126639 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 537 | 10 | 1 | 5 | 7.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccccc2OC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365721 | 126639 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 537 | 10 | 1 | 5 | 7.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccccc2OC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44409832 | 76042 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 398 | 6 | 4 | 8 | 1.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205955 | 76042 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 398 | 6 | 4 | 8 | 1.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 25190383 | 81483 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164831 | 81483 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 122178615 | 120777 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3580668 | 120777 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44410013 | 76685 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 7 | 4.5 | CCCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL207268 | 76685 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 7 | 4.5 | CCCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44389243 | 64237 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 557 | 7 | 1 | 6 | 6.2 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1c(-c2c(Cl)cccc2Cl)noc1CCC1OCCCO1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181619 | 64237 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 557 | 7 | 1 | 6 | 6.2 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1c(-c2c(Cl)cccc2Cl)noc1CCC1OCCCO1 | 10.1016/j.bmcl.2004.11.075 | ||
| 753168 | 122710 | 33 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 349 | 6 | 1 | 4 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL361366 | 122710 | 33 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 349 | 6 | 1 | 4 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 46880566 | 6294 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 3 | 1 | 2 | 5.8 | C[C@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1082209 | 6294 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 3 | 1 | 2 | 5.8 | C[C@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 122178603 | 120812 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 590 | 11 | 2 | 6 | 6.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581036 | 120812 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 590 | 11 | 2 | 6 | 6.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44409979 | 140016 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 425 | 7 | 2 | 7 | 3.4 | CCc1nc(N)nc(N(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL381159 | 140016 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 425 | 7 | 2 | 7 | 3.4 | CCc1nc(N)nc(N(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11256439 | 75014 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 344 | 5 | 3 | 6 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C#N)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL203843 | 75014 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 344 | 5 | 3 | 6 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C#N)cc2)cc1 | 10.1021/jm0510934 | ||
| 11655578 | 169455 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 462 | 8 | 3 | 7 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cnc4ccccc4c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL444277 | 169455 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 462 | 8 | 3 | 7 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cnc4ccccc4c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 70681019 | 72837 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 570 | 9 | 2 | 6 | 4.7 | COc1ccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011824 | 72837 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 570 | 9 | 2 | 6 | 4.7 | COc1ccc(Oc2ccc3c(c2)C(=O)N([C@@H](C(=O)NC2CCN(Cc4ccccc4)CC2)C(C)C)CC(=O)N3)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| 122178612 | 120822 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 572 | 11 | 2 | 6 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581045 | 120822 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 572 | 11 | 2 | 6 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11617435 | 75629 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 359 | 5 | 3 | 6 | 4.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205486 | 75629 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 359 | 5 | 3 | 6 | 4.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| 145988647 | 166508 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4ncccn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4289530 | 166508 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4ncccn4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 11663710 | 123935 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 528 | 9 | 1 | 5 | 6.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363995 | 123935 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 528 | 9 | 1 | 5 | 6.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 56942099 | 124661 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645256 | 124661 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942242 | 124662 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645257 | 124662 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 11663710 | 123935 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 528 | 9 | 1 | 5 | 6.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL363995 | 123935 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 528 | 9 | 1 | 5 | 6.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)cc1 | 10.1016/j.bmcl.2012.01.014 | ||
| 70695747 | 72829 | 0 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011816 | 72829 | 0 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 70687380 | 72843 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011831 | 72843 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 122178605 | 120814 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581038 | 120814 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 145988894 | 166580 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4290680 | 166580 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 601 | 5 | 1 | 4 | 7.4 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@@H](C)c3ccc(C#CC4CC4)c(Cl)c3Cl)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| 16203569 | 141189 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL385803 | 141189 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 145981343 | 166145 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 669 | 6 | 1 | 6 | 7.6 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@H](c3ccc(-c4cnccn4)c(Cl)c3Cl)C(F)(F)F)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4282719 | 166145 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 669 | 6 | 1 | 6 | 7.6 | Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)N[C@H](c3ccc(-c4cnccn4)c(Cl)c3Cl)C(F)(F)F)CC2)ncn1 | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 122178615 | 120777 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3580668 | 120777 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44409810 | 140356 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 469 | 9 | 3 | 9 | 2.8 | CCOC(=O)CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL382138 | 140356 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 469 | 9 | 3 | 9 | 2.8 | CCOC(=O)CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16113124 | 120808 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccncc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581032 | 120808 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccncc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 44409536 | 75143 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 579 | 9 | 3 | 8 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL204325 | 75143 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 579 | 9 | 3 | 8 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 145992835 | 166270 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cncnc4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4285075 | 166270 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 587 | 5 | 1 | 4 | 7.1 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3cc(-c4cncnc4)ccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 11327400 | 75007 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 412 | 8 | 3 | 7 | 4.0 | Nc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL203782 | 75007 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 412 | 8 | 3 | 7 | 4.0 | Nc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 11539588 | 66564 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL186540 | 66564 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 445 | 7 | 1 | 4 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 16113796 | 84244 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL222518 | 84244 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 11442040 | 78126 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 4.7 | Nc1nc(N)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL211211 | 78126 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 440 | 7 | 4 | 6 | 4.7 | Nc1nc(N)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 122178601 | 120810 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581034 | 120810 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 56942243 | 124663 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645258 | 124663 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 46880725 | 6167 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 455 | 3 | 1 | 2 | 5.3 | Cc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1F | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1081612 | 6167 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 455 | 3 | 1 | 2 | 5.3 | Cc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1F | 10.1016/j.bmcl.2010.01.043 | ||
| 122178609 | 120819 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 586 | 12 | 2 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581042 | 120819 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 586 | 12 | 2 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 11454617 | 140775 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 8 | 3 | 8 | 4.0 | CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383411 | 140775 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 488 | 8 | 3 | 8 | 4.0 | CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46880628 | 5940 | 0 | None | -4 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| CHEMBL1080389 | 5940 | 0 | None | -4 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 441 | 3 | 1 | 2 | 5.0 | C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 | 10.1016/j.bmcl.2010.01.043 | ||
| 44409684 | 140341 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 474 | 8 | 4 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL382033 | 140341 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 474 | 8 | 4 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409672 | 139944 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 479 | 9 | 3 | 9 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccco3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL380971 | 139944 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 479 | 9 | 3 | 9 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccco3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409673 | 76382 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 493 | 9 | 3 | 9 | 3.9 | Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)o1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206741 | 76382 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 493 | 9 | 3 | 9 | 3.9 | Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)o1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11453509 | 75810 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 441 | 9 | 3 | 7 | 4.6 | COc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205784 | 75810 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 441 | 9 | 3 | 7 | 4.6 | COc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 127047362 | 139176 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 11 | 5 | 7 | 4.7 | COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798204 | 139176 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 11 | 5 | 7 | 4.7 | COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942535 | 139218 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 593 | 12 | 4 | 7 | 4.4 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798525 | 139218 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 593 | 12 | 4 | 7 | 4.4 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 145990956 | 166457 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 509 | 4 | 1 | 2 | 6.6 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3ccccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| CHEMBL4288441 | 166457 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 509 | 4 | 1 | 2 | 6.6 | C[C@H](NC(=O)N(C)C1CCN(C2CCc3ccccc32)CC1)c1ccc(C#CC2CC2)c(Cl)c1Cl | 10.1021/acs.jmedchem.8b00794 | ||
| 44394947 | 168646 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL440939 | 168646 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44410007 | 76059 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 438 | 8 | 4 | 8 | 2.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205963 | 76059 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 438 | 8 | 4 | 8 | 2.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11583811 | 75619 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 479 | 8 | 3 | 6 | 5.7 | Nc1nc(N)c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205450 | 75619 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 479 | 8 | 3 | 6 | 5.7 | Nc1nc(N)c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 11576960 | 66764 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL187427 | 66764 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11281346 | 75650 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 411 | 8 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205568 | 75650 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 411 | 8 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL499371 | 212314 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 155540883 | 172378 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4517399 | 172378 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 155540883 | 172378 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4517399 | 172378 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 155557019 | 174005 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4556887 | 174005 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 155557019 | 174005 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4556887 | 174005 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 57399248 | 68687 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm1012374 | ||
| CHEMBL1923617 | 68687 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm1012374 | ||
| 71452183 | 83102 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O | 10.1021/jm1012374 | ||
| CHEMBL2203623 | 83102 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O | 10.1021/jm1012374 | ||
| 44454117 | 155004 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404336 | 155004 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| 44454060 | 154781 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL403180 | 154781 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454367 | 94804 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL256235 | 94804 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| 44454338 | 97373 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL272085 | 97373 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44434080 | 89467 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL237933 | 89467 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454302 | 158821 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL410060 | 158821 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| 44454092 | 97187 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL271082 | 97187 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454432 | 154707 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL402808 | 154707 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 9950632 | 88264 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL236038 | 88264 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2008.01.100 | ||
| 44454399 | 154588 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC(C#N)Cc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL402086 | 154588 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC(C#N)Cc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454432 | 154707 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL402808 | 154707 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(CC#N)CCc2ccccc2)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 25022640 | 97339 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL271876 | 97339 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454092 | 97187 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL271082 | 97187 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(C(/C=C/c2ccccc2)CC#N)n1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454303 | 97107 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL270666 | 97107 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 479 | 12 | 3 | 10 | 2.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1O | 10.1016/j.bmcl.2008.01.100 | ||
| 44454304 | 97141 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL270876 | 97141 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 464 | 12 | 2 | 10 | 1.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](CC#N)COc1ccccn1 | 10.1016/j.bmcl.2008.01.100 | ||
| 56926461 | 68679 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm1012374 | ||
| CHEMBL1923609 | 68679 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm1012374 | ||
| 44454398 | 97136 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(C#N)c1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL270851 | 97136 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 447 | 11 | 2 | 8 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(C#N)c1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454060 | 154781 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL403180 | 154781 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 461 | 12 | 2 | 8 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)CCc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454367 | 94804 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL256235 | 94804 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 481 | 12 | 2 | 9 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)COc1ccccc1F | 10.1016/j.bmcl.2008.01.100 | ||
| 44454337 | 155051 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404545 | 155051 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 463 | 12 | 2 | 9 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@H](CC#N)COc1ccccc1 | 10.1016/j.bmcl.2008.01.100 | ||
| 44454117 | 155004 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| CHEMBL404336 | 155004 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 459 | 11 | 2 | 8 | 3.0 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(/C=C/c1ccccc1)CC#N | 10.1016/j.bmcl.2008.01.100 | ||
| 1099 | 1749 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 29233536 | ||||
| 121879 | 2195 | 19 | None | -3 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 15905359 | ||
| 5868 | 2195 | 19 | None | -3 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 15905359 | ||
| CHEMBL308716 | 2195 | 19 | None | -3 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 15905359 | ||
| 5869 | 4005 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 21402696 | ||||
| 121879 | 2195 | 19 | None | 1 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 8503009 | ||
| 5868 | 2195 | 19 | None | 1 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 8503009 | ||
| CHEMBL308716 | 2195 | 19 | None | 1 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 8503009 | ||
| 1099 | 1749 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10628755 | ||||
| 1099 | 1749 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 121879 | 2195 | 19 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 15905359 | ||
| 5868 | 2195 | 19 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 15905359 | ||
| CHEMBL308716 | 2195 | 19 | None | -3 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 15905359 | ||
| 1093 | 1756 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 4345065 | 1756 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 1093 | 1756 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 4345065 | 1756 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10427162 | ||
| 178024 | 1932 | 30 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 15905359 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10427162 | ||
| 5867 | 1932 | 30 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 15905359 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10427162 | ||
| CHEMBL13817 | 1932 | 30 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 15905359 | ||
| 1099 | 1749 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 12907757 | ||||
| 1099 | 1749 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | None | None | None | None | 21402696 | ||||
| 5866 | 3554 | 3 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 18923064 | ||
| 9804743 | 3554 | 3 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 18923064 | ||
| CHEMBL360227 | 3554 | 3 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | Guide to Pharmacology | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 18923064 | ||
| 9734 | 2289 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 29233536 | ||||
| 11441554 | 218 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 420 | 6 | 4 | 6 | 3.9 | O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N | 16854051 | ||
| 5871 | 218 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 420 | 6 | 4 | 6 | 3.9 | O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N | 16854051 | ||
| CHEMBL212761 | 218 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | 420 | 6 | 4 | 6 | 3.9 | O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N | 16854051 | ||
| 5872 | 2084 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 603 | 10 | 3 | 8 | 5.4 | COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1 | 17927165 | ||
| 74015851 | 2084 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 603 | 10 | 3 | 8 | 5.4 | COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1 | 17927165 | ||
| 25124566 | 1836 | 6 | None | 2 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 20593439 | ||
| 5870 | 1836 | 6 | None | 2 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 20593439 | ||
| CHEMBL3358452 | 1836 | 6 | None | 2 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 20593439 | ||
| 5866 | 3554 | 3 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 11741481 | ||
| 9804743 | 3554 | 3 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 11741481 | ||
| CHEMBL360227 | 3554 | 3 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | Guide to Pharmacology | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 11741481 | ||
| 25124566 | 1836 | 6 | None | -2 | 2 | Rat | 8.0 | pKB | = | 8 | Functional | Guide to Pharmacology | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 21034740 | ||
| 5870 | 1836 | 6 | None | -2 | 2 | Rat | 8.0 | pKB | = | 8 | Functional | Guide to Pharmacology | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 21034740 | ||
| CHEMBL3358452 | 1836 | 6 | None | -2 | 2 | Rat | 8.0 | pKB | = | 8 | Functional | Guide to Pharmacology | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 21034740 | ||
| 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 |
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm301653f | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm301653f | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm301653f | ||
| 22867441 | 10203 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161835 | 10203 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| 67457995 | 91387 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@H](O)c1ccccc12 | 10.1016/j.bmc.2013.06.006 | ||
| CHEMBL2413152 | 91387 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@H](O)c1ccccc12 | 10.1016/j.bmc.2013.06.006 | ||
| 22867441 | 10203 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161835 | 10203 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 474 | 5 | 4 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| 71716660 | 85561 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 519 | 10 | 5 | 5 | 2.7 | CCNC(O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| CHEMBL2304221 | 85561 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 519 | 10 | 5 | 5 | 2.7 | CCNC(O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| 10345516 | 138732 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1021/jm058053k | ||
| CHEMBL379074 | 138732 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1021/jm058053k | ||
| 71716660 | 85561 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 519 | 10 | 5 | 5 | 2.7 | CCNC(O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| CHEMBL2304221 | 85561 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 519 | 10 | 5 | 5 | 2.7 | CCNC(O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| 10345516 | 138732 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1021/jm058053k | ||
| CHEMBL379074 | 138732 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 491 | 11 | 1 | 4 | 4.9 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1 | 10.1021/jm058053k | ||
| 9807597 | 182425 | 3 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 513 | 7 | 4 | 4 | 3.5 | CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1021/jm058053k | ||
| CHEMBL47938 | 182425 | 3 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 513 | 7 | 4 | 4 | 3.5 | CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1021/jm058053k | ||
| 10323604 | 10197 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161828 | 10197 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 10323604 | 10197 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161828 | 10197 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 497 | 7 | 2 | 5 | 2.6 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 44411920 | 77510 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 465 | 7 | 3 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL209360 | 77510 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 465 | 7 | 3 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| 162662316 | 180931 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 542 | 8 | 3 | 6 | 2.6 | CC(C)(N)NC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(S(C)(=O)=O)c1ccccc12 | 10.1021/acs.jmedchem.0c00829 | ||
| CHEMBL4765101 | 180931 | 0 | None | - | 0 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 542 | 8 | 3 | 6 | 2.6 | CC(C)(N)NC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CC(S(C)(=O)=O)c1ccccc12 | 10.1021/acs.jmedchem.0c00829 | ||
| 90666017 | 108799 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 472 | 6 | 0 | 8 | 4.1 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218890 | 108799 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 472 | 6 | 0 | 8 | 4.1 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 44411920 | 77510 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 465 | 7 | 3 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL209360 | 77510 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 465 | 7 | 3 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12 | 10.1021/jm058053k | ||
| 10625750 | 167580 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| CHEMBL433087 | 167580 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| 10625750 | 167580 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| CHEMBL433087 | 167580 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 518 | 9 | 3 | 5 | 3.3 | CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1 | 10.1021/jm058053k | ||
| 10626337 | 100742 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1021/jm058053k | ||
| CHEMBL295984 | 100742 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1021/jm058053k | ||
| 44411718 | 10194 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161825 | 10194 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 44293557 | 100606 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.7 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL294923 | 100606 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.7 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL540001 | 100606 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 447 | 7 | 2 | 3 | 3.7 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 16040587 | 178794 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm301653f | ||
| CHEMBL473921 | 178794 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1021/jm301653f | ||
| 16040587 | 178794 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL473921 | 178794 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.8 | C[C@H]1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 16752689 | 187774 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1021/jm301653f | ||
| CHEMBL501315 | 187774 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 568 | 10 | 2 | 4 | 6.6 | COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | 10.1021/jm301653f | ||
| 9890375 | 97805 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL274599 | 97805 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL558802 | 97805 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 9890375 | 97805 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL274599 | 97805 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL558802 | 97805 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 458 | 5 | 3 | 3 | 3.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 10026738 | 162207 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL417182 | 162207 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL557206 | 162207 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 10026738 | 162207 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL417182 | 162207 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL557206 | 162207 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 10745533 | 139577 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL380096 | 139577 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 10745533 | 139577 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL380096 | 139577 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 564 | 12 | 2 | 5 | 4.0 | CN(CCc1ccccc1NS(C)(=O)=O)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 44411745 | 10196 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161827 | 10196 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| 10626337 | 100742 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1021/jm058053k | ||
| CHEMBL295984 | 100742 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 543 | 9 | 5 | 5 | 2.8 | CC(C)(N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O | 10.1021/jm058053k | ||
| 44411634 | 10193 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161824 | 10193 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 44411634 | 10193 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161824 | 10193 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 44411745 | 10196 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161827 | 10196 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 481 | 7 | 2 | 4 | 2.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| 44411753 | 10198 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161829 | 10198 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| 44411753 | 10198 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161829 | 10198 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 449 | 7 | 2 | 4 | 3.2 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| 44293091 | 187593 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL49884 | 187593 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 44293091 | 187593 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| CHEMBL49884 | 187593 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.3 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 | 10.1021/jm058053k | ||
| 46905972 | 10296 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 471 | 10 | 1 | 3 | 4.8 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 | 10.1021/jm058053k | ||
| CHEMBL1162926 | 10296 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 471 | 10 | 1 | 3 | 4.8 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 | 10.1021/jm058053k | ||
| 15481181 | 77376 | 2 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| CHEMBL209020 | 77376 | 2 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| 9810101 | 98779 | 12 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL281764 | 98779 | 12 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 15481188 | 140666 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1021/jm058053k | ||
| CHEMBL382844 | 140666 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1021/jm058053k | ||
| CHEMBL1793862 | 207175 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm058053k | ||||
| 216208 | 9620 | 27 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.0c00829 | ||
| CHEMBL113313 | 9620 | 27 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.0c00829 | ||
| 46905972 | 10296 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 471 | 10 | 1 | 3 | 4.8 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 | 10.1021/jm058053k | ||
| CHEMBL1162926 | 10296 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 471 | 10 | 1 | 3 | 4.8 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 | 10.1021/jm058053k | ||
| 15481181 | 77376 | 2 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| CHEMBL209020 | 77376 | 2 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| 9810101 | 98779 | 12 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL281764 | 98779 | 12 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 528 | 11 | 2 | 4 | 3.7 | CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 15481188 | 140666 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1021/jm058053k | ||
| CHEMBL382844 | 140666 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 491 | 9 | 3 | 6 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2=NNC(=O)[C@@]2(Cc2ccccc2)C1 | 10.1021/jm058053k | ||
| CHEMBL1793862 | 207175 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CCOC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm058053k | ||||
| 15481185 | 76893 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| CHEMBL207970 | 76893 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| 15481185 | 76893 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| CHEMBL207970 | 76893 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 519 | 10 | 2 | 6 | 2.1 | CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@]2(Cc2ccccc2)C1=O | 10.1021/jm058053k | ||
| 44411584 | 10191 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161822 | 10191 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 44411584 | 10191 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161822 | 10191 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 2 | 4 | 3.9 | CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 22862436 | 10202 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161834 | 10202 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 10602640 | 137648 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1021/jm058053k | ||
| CHEMBL376970 | 137648 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1021/jm058053k | ||
| 10791616 | 138993 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL379564 | 138993 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 10029990 | 168707 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL441360 | 168707 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 22862436 | 10202 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161834 | 10202 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 10602640 | 137648 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1021/jm058053k | ||
| CHEMBL376970 | 137648 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 545 | 14 | 2 | 5 | 4.2 | CNC(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO | 10.1021/jm058053k | ||
| 10791616 | 138993 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL379564 | 138993 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 503 | 11 | 1 | 4 | 5.2 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 10029990 | 168707 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL441360 | 168707 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 531 | 13 | 2 | 5 | 4.0 | CN(CCc1ccccc1OCCO)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 44411632 | 10192 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161823 | 10192 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 44411632 | 10192 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161823 | 10192 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 23529194 | 101708 | 0 | None | - | 0 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 525 | 5 | 3 | 3 | 4.0 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)NC1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00829 | ||
| CHEMBL302810 | 101708 | 0 | None | - | 0 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 525 | 5 | 3 | 3 | 4.0 | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)NC1CN2CCC1CC2 | 10.1021/acs.jmedchem.0c00829 | ||
| 16041292 | 183019 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 490 | 6 | 2 | 6 | 3.9 | C[C@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| CHEMBL480219 | 183019 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 490 | 6 | 2 | 6 | 3.9 | C[C@H]1CN(Cc2ccc(-n3ccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@@H](C)N1 | 10.1016/j.bmcl.2008.10.072 | ||
| 44411913 | 10201 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161833 | 10201 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 44411913 | 10201 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161833 | 10201 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CSc1ccccc12 | 10.1021/jm058053k | ||
| 44411905 | 10200 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161832 | 10200 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 10506325 | 100758 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1021/jm058053k | ||
| CHEMBL296104 | 100758 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1021/jm058053k | ||
| 44411905 | 10200 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161832 | 10200 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 2.2 | CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CC1)CS(=O)(=O)c1ccccc12 | 10.1021/jm058053k | ||
| 10506325 | 100758 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1021/jm058053k | ||
| CHEMBL296104 | 100758 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 527 | 8 | 4 | 4 | 3.9 | CCNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1 | 10.1021/jm058053k | ||
| 10600702 | 140792 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL383526 | 140792 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| 10600702 | 140792 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL383526 | 140792 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 477 | 10 | 1 | 4 | 4.7 | CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N | 10.1021/jm058053k | ||
| CHEMBL335799 | 209808 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1016/j.bmc.2013.06.006 | ||||
| 44411720 | 10195 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161826 | 10195 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| 44411902 | 10199 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161831 | 10199 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| 44411720 | 10195 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161826 | 10195 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 2.1 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[S+]([O-])c1ccccc12 | 10.1021/jm058053k | ||
| 44411902 | 10199 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| CHEMBL1161831 | 10199 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 451 | 7 | 2 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)COc1ccccc12 | 10.1021/jm058053k | ||
| 44390849 | 62571 | 0 | None | - | 0 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(Cl)cc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL178475 | 62571 | 0 | None | - | 0 | Human | 10.7 | pIC50 | = | 10.7 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(Cl)cc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 25227441 | 112931 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 563 | 8 | 2 | 8 | 3.9 | CCc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| CHEMBL3319217 | 112931 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 563 | 8 | 2 | 8 | 3.9 | CCc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| CHEMBL501253 | 212352 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCCBr)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm0001727 | ||||
| 44582528 | 192803 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 3419 | 113 | 48 | 48 | -14.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm0001727 | ||
| 91935097 | 192803 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 3419 | 113 | 48 | 48 | -14.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm0001727 | ||
| CHEMBL525994 | 192803 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 3419 | 113 | 48 | 48 | -14.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm0001727 | ||
| CHEMBL2310891 | 207740 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 90665845 | 108771 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 485 | 5 | 0 | 4 | 6.8 | Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218645 | 108771 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 485 | 5 | 0 | 4 | 6.8 | Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/j.bmcl.2005.02.042 | ||||
| 57422686 | 112935 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 600 | 8 | 2 | 9 | 4.1 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccc5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319221 | 112935 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 600 | 8 | 2 | 9 | 4.1 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccc5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL2310888 | 207738 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C | 10.1021/jm0001727 | ||||
| 11340044 | 140791 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL383522 | 140791 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 44336274 | 108070 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 896 | 22 | 6 | 10 | 2.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(=O)(=O)CC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SCC3NC(=O)NC31)c1ccccc12 | 10.1021/jm970342o | ||
| CHEMBL320289 | 108070 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 896 | 22 | 6 | 10 | 2.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(=O)(=O)CC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SCC3NC(=O)NC31)c1ccccc12 | 10.1021/jm970342o | ||
| 122180027 | 121061 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 5.2 | CC(C)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586033 | 121061 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 5.2 | CC(C)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 118709502 | 112960 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 629 | 8 | 2 | 10 | 3.8 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(C#N)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319398 | 112960 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 629 | 8 | 2 | 10 | 3.8 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(C#N)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 44390862 | 63521 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2cc(Cl)ccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL180349 | 63521 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2cc(Cl)ccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 16133832 | 211573 | 15 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| CHEMBL425281 | 211573 | 15 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1016/s0960-894x(01)00324-9 | ||||
| 90665847 | 108773 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 475 | 5 | 0 | 6 | 5.3 | Cc1ccccc1-c1nc2cn(-c3ccc(Cl)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218647 | 108773 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 475 | 5 | 0 | 6 | 5.3 | Cc1ccccc1-c1nc2cn(-c3ccc(Cl)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 122182190 | 121482 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593815 | 121482 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| 57422687 | 112936 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 604 | 8 | 2 | 9 | 3.9 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319222 | 112936 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 604 | 8 | 2 | 9 | 3.9 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 16114292 | 96473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL266063 | 96473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 16114292 | 96473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL266063 | 96473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| 11225576 | 165473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL425594 | 165473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 122182047 | 121475 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593636 | 121475 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 11225576 | 165473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL425594 | 165473 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 489 | 9 | 3 | 8 | 4.0 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 25260749 | 112934 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 579 | 9 | 2 | 9 | 3.7 | CCOc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| CHEMBL3319220 | 112934 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 579 | 9 | 2 | 9 | 3.7 | CCOc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| 57422792 | 112959 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 635 | 8 | 2 | 10 | 4.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)c(Cl)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319397 | 112959 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 635 | 8 | 2 | 10 | 4.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)c(Cl)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 57422692 | 112933 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 575 | 8 | 2 | 8 | 4.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(C5CC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319219 | 112933 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 575 | 8 | 2 | 8 | 4.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(C5CC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm020985q | ||||
| 122182043 | 121471 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 580 | 7 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593632 | 121471 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 580 | 7 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| 118709506 | 112970 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 586 | 5 | 2 | 9 | 4.3 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(C#N)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319407 | 112970 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 586 | 5 | 2 | 9 | 4.3 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(C#N)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm0309452 | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm0309452 | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm0309452 | ||
| 11431274 | 76976 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 467 | 9 | 3 | 8 | 3.8 | CC(C)=CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL208424 | 76976 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 467 | 9 | 3 | 8 | 3.8 | CC(C)=CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11410373 | 137993 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 558 | 10 | 4 | 8 | 4.2 | Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL377514 | 137993 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 558 | 10 | 4 | 8 | 4.2 | Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)c1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44582531 | 188126 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 3368 | 117 | 49 | 47 | -15.3 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||
| 91935100 | 188126 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 3368 | 117 | 49 | 47 | -15.3 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||
| CHEMBL504776 | 188126 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 3368 | 117 | 49 | 47 | -15.3 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||
| 122182046 | 121474 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 586 | 8 | 2 | 6 | 5.6 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593635 | 121474 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 586 | 8 | 2 | 6 | 5.6 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 25260745 | 112963 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 573 | 10 | 2 | 8 | 5.2 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319400 | 112963 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 573 | 10 | 2 | 8 | 5.2 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 122182190 | 121482 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593815 | 121482 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| 57422768 | 112942 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 615 | 8 | 2 | 10 | 3.8 | Cc1ccn(-c2ccc(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c(Cl)c2)n1 | 10.1021/jm500610n | ||
| CHEMBL3319228 | 112942 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 615 | 8 | 2 | 10 | 3.8 | Cc1ccn(-c2ccc(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c(Cl)c2)n1 | 10.1021/jm500610n | ||
| 16114096 | 78735 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL2113324 | 78735 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 | 10.1021/jm0704550 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020424z | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020424z | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020424z | ||
| 57422690 | 112941 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 615 | 8 | 2 | 10 | 3.8 | Cc1ccn(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c2)n1 | 10.1021/jm500610n | ||
| CHEMBL3319227 | 112941 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 615 | 8 | 2 | 10 | 3.8 | Cc1ccn(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c2)n1 | 10.1021/jm500610n | ||
| 118709503 | 112961 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 588 | 7 | 2 | 9 | 3.8 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5c(ccn5C)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319399 | 112961 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 588 | 7 | 2 | 9 | 3.8 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5c(ccn5C)cc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 66788278 | 124659 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | nan | ||
| CHEMBL3645254 | 124659 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | nan | ||
| 16114292 | 96473 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm701292s | ||
| CHEMBL266063 | 96473 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm701292s | ||
| 44436850 | 91104 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 564 | 11 | 4 | 6 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL240509 | 91104 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 564 | 11 | 4 | 6 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 57422793 | 112958 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 631 | 9 | 2 | 11 | 3.5 | COc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1-n1cccn1 | 10.1021/jm500610n | ||
| CHEMBL3319396 | 112958 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 631 | 9 | 2 | 11 | 3.5 | COc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1-n1cccn1 | 10.1021/jm500610n | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(01)00324-9 | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(01)00324-9 | ||
| 57422688 | 112939 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 601 | 8 | 2 | 10 | 3.5 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319225 | 112939 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 601 | 8 | 2 | 10 | 3.5 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 57785733 | 112938 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 612 | 8 | 2 | 9 | 4.4 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-c5ccccn5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319224 | 112938 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 612 | 8 | 2 | 9 | 4.4 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-c5ccccn5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 16113245 | 120807 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581030 | 120807 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44445600 | 154238 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL400175 | 154238 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL437713 | 211973 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C | 10.1021/jm020424z | ||||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020985q | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020985q | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020985q | ||
| CHEMBL412799 | 211268 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(N)=O)C(C)C | 10.1021/jm0001727 | ||||
| 57422817 | 112937 | 13 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 8 | 2 | 10 | 3.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319223 | 112937 | 13 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 8 | 2 | 10 | 3.2 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 11476589 | 75620 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205451 | 75620 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 456 | 9 | 3 | 8 | 4.5 | Nc1nc(N)c(-c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL526723 | 213911 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 44436857 | 145111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 594 | 12 | 4 | 7 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL391588 | 145111 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 594 | 12 | 4 | 7 | 4.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 90666039 | 108821 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 528 | 8 | 0 | 9 | 4.2 | CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218912 | 108821 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 528 | 8 | 0 | 9 | 4.2 | CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 118709505 | 112969 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 561 | 5 | 2 | 8 | 4.4 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319406 | 112969 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 561 | 5 | 2 | 8 | 4.4 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL2310887 | 207737 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CCCC(CCC)C(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 122180026 | 121060 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 566 | 7 | 2 | 7 | 4.4 | CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586032 | 121060 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 566 | 7 | 2 | 7 | 4.4 | CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 122182043 | 121471 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 580 | 7 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593632 | 121471 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 580 | 7 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL2310890 | 207739 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C/C=C/C=C/C=C/C(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 44409536 | 75143 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL204325 | 75143 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 9 | 3 | 8 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 44445595 | 93954 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 572 | 11 | 2 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL250974 | 93954 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 572 | 11 | 2 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 90665850 | 108776 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 491 | 7 | 0 | 7 | 4.6 | COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cn(-c4ccc(Cl)cc4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218650 | 108776 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 491 | 7 | 0 | 7 | 4.6 | COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cn(-c4ccc(Cl)cc4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 90665851 | 108777 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 459 | 5 | 0 | 6 | 4.8 | Cc1ccccc1-c1nc2cn(-c3ccc(F)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218651 | 108777 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 459 | 5 | 0 | 6 | 4.8 | Cc1ccccc1-c1nc2cn(-c3ccc(F)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 11134880 | 98959 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 500 | 10 | 6 | 4 | 2.1 | O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 | 10.1021/jm020985q | ||
| CHEMBL282891 | 98959 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 500 | 10 | 6 | 4 | 2.1 | O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 | 10.1021/jm020985q | ||
| 5866 | 3554 | 3 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 10.1021/jm040103i | ||
| 9804743 | 3554 | 3 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 10.1021/jm040103i | ||
| CHEMBL360227 | 3554 | 3 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 10.1021/jm040103i | ||
| 11712151 | 75625 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 9 | 3 | 7 | 4.8 | CC(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205470 | 75625 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 9 | 3 | 7 | 4.8 | CC(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 56942098 | 124660 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | nan | ||
| CHEMBL3645255 | 124660 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | nan | ||
| 25261382 | 112929 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 535 | 7 | 2 | 8 | 3.3 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319215 | 112929 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 535 | 7 | 2 | 8 | 3.3 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 57422789 | 112943 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 629 | 8 | 2 | 10 | 4.1 | Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c2)n1 | 10.1021/jm500610n | ||
| CHEMBL3319229 | 112943 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 629 | 8 | 2 | 10 | 4.1 | Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c2)n1 | 10.1021/jm500610n | ||
| 56942244 | 124664 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | nan | ||
| CHEMBL3645259 | 124664 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | nan | ||
| 90665846 | 108772 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 6.9 | Cc1ccccc1-c1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218646 | 108772 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 6.9 | Cc1ccccc1-c1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 11339816 | 75639 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 446 | 8 | 3 | 7 | 4.7 | Nc1nc(N)c(-c2ccc(NCc3ccnc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205521 | 75639 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 446 | 8 | 3 | 7 | 4.7 | Nc1nc(N)c(-c2ccc(NCc3ccnc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 44409756 | 76399 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 492 | 8 | 4 | 8 | 4.1 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccc(F)cc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206820 | 76399 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 492 | 8 | 4 | 8 | 4.1 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccc(F)cc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 90666012 | 108794 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 5 | 0 | 6 | 5.3 | Cc1ccccc1-c1nc2cn(-c3cccc(Cl)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218885 | 108794 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 5 | 0 | 6 | 5.3 | Cc1ccccc1-c1nc2cn(-c3cccc(Cl)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 90666031 | 108813 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 7 | 0 | 8 | 4.5 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218904 | 108813 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 7 | 0 | 8 | 4.5 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 44390840 | 123026 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(Cl)c2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL361804 | 123026 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(Cl)c2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 90666017 | 108799 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 472 | 6 | 0 | 8 | 4.1 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218890 | 108799 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 472 | 6 | 0 | 8 | 4.1 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 90666027 | 108809 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 502 | 8 | 0 | 9 | 3.7 | COC[C@H](C)N1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218900 | 108809 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 502 | 8 | 0 | 9 | 3.7 | COC[C@H](C)N1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 44445594 | 154093 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 611 | 11 | 3 | 7 | 6.0 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL399447 | 154093 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 611 | 11 | 3 | 7 | 6.0 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 90666013 | 108795 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 6 | 0 | 7 | 4.7 | COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218886 | 108795 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 6 | 0 | 7 | 4.7 | COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 44445599 | 93737 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 581 | 10 | 3 | 6 | 6.0 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL249639 | 93737 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 581 | 10 | 3 | 6 | 6.0 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 44446187 | 94171 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252255 | 94171 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 23648244 | 91568 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241775 | 91568 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| 44409776 | 76775 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 425 | 7 | 3 | 7 | 3.5 | CC(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL207754 | 76775 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 425 | 7 | 3 | 7 | 3.5 | CC(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122178616 | 120825 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581048 | 120825 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16113471 | 84283 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 623 | 10 | 4 | 5 | 6.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 | 10.1021/jm070024h | ||
| CHEMBL222789 | 84283 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 623 | 10 | 4 | 5 | 6.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 | 10.1021/jm070024h | ||
| 156021766 | 177543 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648355 | 177543 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145959787 | 161723 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145953855 | 161953 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167669 | 161953 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16113585 | 136698 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 591 | 11 | 4 | 7 | 5.0 | COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL375161 | 136698 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 591 | 11 | 4 | 7 | 5.0 | COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| 145958774 | 161704 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163811 | 161704 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156016073 | 177071 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 649 | 10 | 1 | 10 | 4.6 | CCOc1cc(Cl)c(C(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1N1C[C@H](C)O[C@@H](C)C1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4641503 | 177071 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 649 | 10 | 1 | 10 | 4.6 | CCOc1cc(Cl)c(C(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1N1C[C@H](C)O[C@@H](C)C1 | 10.1016/j.bmcl.2020.126953 | ||
| 162646061 | 178941 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 729 | 18 | 11 | 12 | -5.4 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CN)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O | 10.1039/d0md00210k | ||
| CHEMBL4741413 | 178941 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 729 | 18 | 11 | 12 | -5.4 | C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CN)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O | 10.1039/d0md00210k | ||
| 70692600 | 75506 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 447 | 7 | 0 | 7 | 2.8 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048813 | 75506 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 447 | 7 | 0 | 7 | 2.8 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2310886 | 207736 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CCCNC(=O)CCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 156021766 | 177543 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4648355 | 177543 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44445601 | 93738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 498 | 8 | 2 | 5 | 5.4 | O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 | 10.1021/jm701292s | ||
| CHEMBL249640 | 93738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 498 | 8 | 2 | 5 | 5.4 | O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 | 10.1021/jm701292s | ||
| 44390901 | 63733 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 2.7 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(OC)cc2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL180755 | 63733 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 2.7 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(OC)cc2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 145959787 | 161723 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 70694648 | 75504 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 462 | 7 | 0 | 7 | 3.6 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048811 | 75504 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 462 | 7 | 0 | 7 | 3.6 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 44445591 | 154092 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 591 | 11 | 4 | 7 | 5.0 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL399446 | 154092 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 591 | 11 | 4 | 7 | 5.0 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 16113468 | 141256 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL386218 | 141256 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| 16113468 | 141256 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL386218 | 141256 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 46882103 | 5862 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 432 | 12 | 4 | 4 | 4.1 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCCN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079872 | 5862 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 432 | 12 | 4 | 4 | 4.1 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCCN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 72190450 | 91829 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426679 | 91829 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 11441978 | 129920 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 4.8 | CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3ccccc3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL368034 | 129920 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 4.8 | CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3ccccc3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL2310894 | 207742 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O | 10.1021/jm0001727 | ||||
| 122180017 | 121051 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 525 | 9 | 2 | 8 | 4.5 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586023 | 121051 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 525 | 9 | 2 | 8 | 4.5 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 44445592 | 93736 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL249638 | 93736 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 16113577 | 84498 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 573 | 12 | 4 | 5 | 5.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL223725 | 84498 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 573 | 12 | 4 | 5 | 5.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| 16113902 | 137138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL375859 | 137138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 90666041 | 108823 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 542 | 8 | 0 | 9 | 4.6 | Cc1ncccc1-c1nc2cn(-c3cccc(OC(C)C)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218914 | 108823 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 542 | 8 | 0 | 9 | 4.6 | Cc1ncccc1-c1nc2cn(-c3cccc(OC(C)C)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 | 10.1039/C2MD20340E | ||
| 16113902 | 137138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL375859 | 137138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 15945877 | 146394 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL392593 | 146394 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| 11337482 | 76272 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206399 | 76272 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| 44409775 | 75657 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 8 | 3 | 7 | 3.7 | CCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205605 | 75657 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 425 | 8 | 3 | 7 | 3.7 | CCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122182190 | 121482 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593815 | 121482 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| 44445620 | 154128 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 11 | 2 | 6 | 6.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL399651 | 154128 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 11 | 2 | 6 | 6.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 11676995 | 65816 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 461 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCOC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184258 | 65816 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 461 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCOC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 16203930 | 83904 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1cc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL221674 | 83904 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1cc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 | 10.1021/jm070024h | ||
| 11537683 | 75161 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 354 | 5 | 3 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204352 | 75161 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 354 | 5 | 3 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| 122180020 | 121054 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586026 | 121054 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 44338247 | 7830 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 549 | 11 | 1 | 6 | 4.8 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1CCCN1CCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL109035 | 7830 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 549 | 11 | 1 | 6 | 4.8 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1CCCN1CCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| 44445622 | 154129 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 11 | 4 | 7 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccc2N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL399653 | 154129 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 11 | 4 | 7 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccc2N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 59446139 | 81175 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 849 | 21 | 10 | 8 | 2.2 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163449 | 81175 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 849 | 21 | 10 | 8 | 2.2 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44436812 | 91318 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 3.9 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241033 | 91318 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 3.9 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 11731384 | 162158 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 557 | 10 | 7 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1 | 10.1021/jm020985q | ||
| CHEMBL417092 | 162158 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 557 | 10 | 7 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1 | 10.1021/jm020985q | ||
| 44390888 | 64070 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.7 | CCN(CC)CCN1C(=O)C(O)(c2ccccc2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL181312 | 64070 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.7 | CCN(CC)CCN1C(=O)C(O)(c2ccccc2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 60195112 | 81180 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 875 | 21 | 10 | 8 | 2.6 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163466 | 81180 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 875 | 21 | 10 | 8 | 2.6 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2370788 | 208166 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm020985q | ||||
| 16113904 | 136499 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL374655 | 136499 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 90665852 | 108778 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 466 | 5 | 0 | 7 | 4.6 | Cc1ccccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218652 | 108778 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 466 | 5 | 0 | 7 | 4.6 | Cc1ccccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 90666032 | 108814 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 512 | 7 | 0 | 8 | 4.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218905 | 108814 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 512 | 7 | 0 | 8 | 4.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 16113904 | 136499 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL374655 | 136499 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL500703 | 212339 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 10415364 | 126233 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365294 | 126233 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 53390181 | 91825 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426675 | 91825 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 145957075 | 161717 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164040 | 161717 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956026 | 162100 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4169979 | 162100 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956061 | 162131 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170481 | 162131 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145951150 | 162214 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171914 | 162214 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 11328064 | 159753 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 6 | 2 | 4 | 4.9 | CCN(CC)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCc3ccccc3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL411055 | 159753 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 6 | 2 | 4 | 4.9 | CCN(CC)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCc3ccccc3C2)cc1 | 10.1021/jm0491750 | ||
| 44445607 | 166166 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 572 | 11 | 2 | 7 | 5.4 | COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL428314 | 166166 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 572 | 11 | 2 | 7 | 5.4 | COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 16113581 | 84699 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1cccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL224921 | 84699 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1cccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| 90666022 | 108804 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 7 | 0 | 9 | 4.2 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218895 | 108804 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 7 | 0 | 9 | 4.2 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 90666028 | 108810 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 7 | 0 | 10 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(Cc5cnco5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218901 | 108810 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 7 | 0 | 10 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(Cc5cnco5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 70682036 | 75510 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 4.3 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4n[nH]c5ccccc45)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048817 | 75510 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 4.3 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4n[nH]c5ccccc45)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 16113796 | 84244 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL222518 | 84244 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 57422697 | 112949 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 409 | 3 | 2 | 6 | 3.3 | CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319276 | 112949 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 409 | 3 | 2 | 6 | 3.3 | CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 44582528 | 192803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3419 | 113 | 48 | 48 | -14.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm8014519 | ||
| 91935097 | 192803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3419 | 113 | 48 | 48 | -14.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm8014519 | ||
| CHEMBL525994 | 192803 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3419 | 113 | 48 | 48 | -14.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm8014519 | ||
| CHEMBL499371 | 212314 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 59446101 | 81190 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 915 | 23 | 11 | 9 | 2.1 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163477 | 81190 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 915 | 23 | 11 | 9 | 2.1 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 59446101 | 81190 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 915 | 23 | 11 | 9 | 2.1 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163477 | 81190 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 915 | 23 | 11 | 9 | 2.1 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44389262 | 121505 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 6 | 2 | 4 | 6.1 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL359506 | 121505 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 479 | 6 | 2 | 4 | 6.1 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 16113796 | 84244 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL222518 | 84244 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 11576960 | 66764 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL187427 | 66764 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11124146 | 98683 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 10 | 6 | 5 | 2.8 | CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL281173 | 98683 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 10 | 6 | 5 | 2.8 | CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 122178600 | 120809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581033 | 120809 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44409679 | 75142 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 8 | 4 | 8 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204322 | 75142 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 8 | 4 | 8 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 9745 | 2410 | 20 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| 9804938 | 2410 | 20 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| CHEMBL278623 | 2410 | 20 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| DB13074 | 2410 | 20 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| 16113579 | 84499 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 595 | 10 | 4 | 5 | 6.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL223726 | 84499 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 595 | 10 | 4 | 5 | 6.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL3578015 | 210009 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 145954311 | 161924 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167267 | 161924 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL3578015 | 210009 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 11373823 | 78079 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 3 | 7 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)c3ccsc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL211188 | 78079 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 3 | 7 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)c3ccsc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 145954311 | 161924 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167267 | 161924 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44301389 | 11155 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1179118 | 11155 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL61292 | 11155 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 46882236 | 5680 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 4.1 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078608 | 5680 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 4.1 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 16114514 | 78733 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 | 10.1021/jm0704550 | ||
| CHEMBL2113322 | 78733 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 | 10.1021/jm0704550 | ||
| 11523411 | 75189 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 363 | 6 | 4 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204511 | 75189 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 363 | 6 | 4 | 6 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)O)cc2)cc1 | 10.1021/jm0510934 | ||
| 57422730 | 112926 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 508 | 9 | 2 | 7 | 4.4 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319212 | 112926 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 508 | 9 | 2 | 7 | 4.4 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 46882763 | 5537 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 612 | 17 | 6 | 7 | 5.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1077617 | 5537 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 612 | 17 | 6 | 7 | 5.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 145951150 | 162214 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171914 | 162214 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 443 | 4 | 3 | 5 | 3.1 | Cn1ccc2c(F)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)ccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL433540 | 211884 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm020424z | ||||
| 1744826 | 62654 | 17 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1021/jm0491750 | ||
| CHEMBL178668 | 62654 | 17 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1021/jm0491750 | ||
| 1744826 | 62654 | 17 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL178668 | 62654 | 17 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 122178603 | 120812 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 590 | 11 | 2 | 6 | 6.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581036 | 120812 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 590 | 11 | 2 | 6 | 6.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16114009 | 136657 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 556 | 10 | 3 | 5 | 5.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL374921 | 136657 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 556 | 10 | 3 | 5 | 5.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| 23648246 | 161227 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 5.6 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL414132 | 161227 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 5.6 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| 11655578 | 169455 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 462 | 8 | 3 | 7 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cnc4ccccc4c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL444277 | 169455 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 462 | 8 | 3 | 7 | 5.2 | Nc1nc(N)c(-c2ccc(NCc3cnc4ccccc4c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 1744826 | 62654 | 17 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178668 | 62654 | 17 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 417 | 6 | 1 | 4 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 156021336 | 177583 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 467 | 5 | 1 | 6 | 5.2 | CCOc1cc(Cl)c(-c2ccc(-c3nc4ccccc4s3)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4649089 | 177583 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 467 | 5 | 1 | 6 | 5.2 | CCOc1cc(Cl)c(-c2ccc(-c3nc4ccccc4s3)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| 44446190 | 94107 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL251855 | 94107 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44389167 | 123327 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 425 | 7 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL362612 | 123327 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 425 | 7 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44338240 | 108639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 569 | 11 | 1 | 7 | 5.2 | O=C1[C@H](CCc2ccccc2)N(Cc2cc(-c3ccccc3-c3nn[nH]n3)cs2)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL321403 | 108639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 569 | 11 | 1 | 7 | 5.2 | O=C1[C@H](CCc2ccccc2)N(Cc2cc(-c3ccccc3-c3nn[nH]n3)cs2)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| 11539587 | 66727 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 445 | 8 | 1 | 4 | 6.7 | CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL187271 | 66727 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 445 | 8 | 1 | 4 | 6.7 | CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11503585 | 64858 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 461 | 9 | 2 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCCO)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL182542 | 64858 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 461 | 9 | 2 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCCO)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 23656300 | 148222 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 592 | 12 | 3 | 7 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL394054 | 148222 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 592 | 12 | 3 | 7 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)c(OC)c1 | 10.1021/jm0704550 | ||
| 59446107 | 81193 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163480 | 81193 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 59446107 | 81193 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163480 | 81193 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44436807 | 147767 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 547 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(CCC3C=Nc4ccccc43)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/jm0704550 | ||
| CHEMBL393692 | 147767 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 547 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(CCC3C=Nc4ccccc43)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/jm0704550 | ||
| 46882237 | 5688 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 9 | 4 | 4 | 4.1 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078677 | 5688 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 9 | 4 | 4 | 4.1 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44395002 | 65840 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 534 | 9 | 1 | 5 | 5.6 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184368 | 65840 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 534 | 9 | 1 | 5 | 5.6 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44445627 | 154389 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 10 | 2 | 7 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL401084 | 154389 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 10 | 2 | 7 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 16113906 | 136686 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 612 | 12 | 5 | 5 | 6.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL375102 | 136686 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 612 | 12 | 5 | 5 | 6.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| 70692601 | 75507 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048814 | 75507 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 145957075 | 161717 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164040 | 161717 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 4 | 4 | 3.2 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2c(F)cc(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956026 | 162100 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4169979 | 162100 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N(C)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956061 | 162131 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170481 | 162131 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 432 | 4 | 3 | 4 | 2.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 46882271 | 5717 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 466 | 8 | 4 | 4 | 5.0 | CCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078899 | 5717 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 466 | 8 | 4 | 4 | 5.0 | CCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 156018364 | 177329 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645148 | 177329 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44445624 | 154355 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 11 | 4 | 7 | 5.8 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)[C@H]2CCCC[C@H]2N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL400879 | 154355 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 11 | 4 | 7 | 5.8 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)[C@H]2CCCC[C@H]2N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 16203238 | 136572 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 531 | 9 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL374757 | 136572 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 531 | 9 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 | 10.1021/jm070024h | ||
| 16113694 | 136656 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 609 | 11 | 4 | 5 | 6.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL374920 | 136656 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 609 | 11 | 4 | 5 | 6.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| 16114181 | 141396 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 10 | 3 | 5 | 5.0 | Cc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL387109 | 141396 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 10 | 3 | 5 | 5.0 | Cc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 44446137 | 154866 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL403682 | 154866 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 122180017 | 121051 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 9 | 2 | 8 | 4.5 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586023 | 121051 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 9 | 2 | 8 | 4.5 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 44379072 | 12674 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 4.2 | NCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1188124 | 12674 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 4.2 | NCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL535353 | 12674 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 4.2 | NCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 16113905 | 84259 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 589 | 12 | 4 | 6 | 5.6 | COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL222622 | 84259 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 589 | 12 | 4 | 6 | 5.6 | COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 11626181 | 123849 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 431 | 7 | 1 | 4 | 6.3 | CCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363896 | 123849 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 431 | 7 | 1 | 4 | 6.3 | CCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 42624369 | 188266 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1713 | 58 | 25 | 24 | -9.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 44582535 | 188266 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1713 | 58 | 25 | 24 | -9.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 91935102 | 188266 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1713 | 58 | 25 | 24 | -9.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| CHEMBL506930 | 188266 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1713 | 58 | 25 | 24 | -9.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 16113691 | 136183 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL374073 | 136183 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| 90666023 | 108805 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218896 | 108805 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 16113691 | 136183 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm0704550 | ||
| CHEMBL374073 | 136183 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm0704550 | ||
| 57422696 | 112966 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 558 | 5 | 2 | 9 | 4.0 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319403 | 112966 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 558 | 5 | 2 | 9 | 4.0 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccn5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 156012849 | 176714 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636571 | 176714 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44390860 | 63298 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(Cl)c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL180096 | 63298 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(Cl)c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 73347725 | 91824 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 6 | 0 | 5 | 4.5 | COc1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ncccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426674 | 91824 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 6 | 0 | 5 | 4.5 | COc1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ncccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 156012849 | 176714 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4636571 | 176714 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnc(C)c4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156015928 | 176997 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640615 | 176997 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156018364 | 177329 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645148 | 177329 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 8 | 3 | 6 | 1.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145949595 | 162162 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171040 | 162162 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 1100 | 1572 | 41 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm300557t | ||||
| 6918297 | 1572 | 41 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm300557t | ||||
| CHEMBL108335 | 1572 | 41 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm300557t | ||||
| 11539588 | 66564 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL186540 | 66564 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 122180015 | 121049 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 9 | 2 | 8 | 5.3 | CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586021 | 121049 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 9 | 2 | 8 | 5.3 | CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 122178615 | 120777 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3580668 | 120777 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 606 | 11 | 2 | 6 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16113798 | 83902 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 598 | 11 | 5 | 5 | 5.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL221662 | 83902 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 598 | 11 | 5 | 5 | 5.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| 16113797 | 137596 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 637 | 11 | 4 | 5 | 6.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 | 10.1021/jm070024h | ||
| CHEMBL376735 | 137596 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 637 | 11 | 4 | 5 | 6.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1 | 10.1021/jm070024h | ||
| 16113903 | 167802 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1cc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL434573 | 167802 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1cc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc(OC)c1 | 10.1021/jm070024h | ||
| 44338241 | 6448 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 569 | 11 | 1 | 7 | 5.2 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)s2)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL108287 | 6448 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 569 | 11 | 1 | 7 | 5.2 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)s2)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| 44410012 | 137858 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL377305 | 137858 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16113122 | 147624 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 12 | 3 | 7 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL393565 | 147624 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 12 | 3 | 7 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 | 10.1021/jm0704550 | ||
| 11556937 | 81196 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163484 | 81196 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 11556937 | 81196 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163484 | 81196 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 9956908 | 12970 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 12 | 2 | 5 | 4.5 | NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1190326 | 12970 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 12 | 2 | 5 | 4.5 | NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL540604 | 12970 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 12 | 2 | 5 | 4.5 | NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 11329138 | 64114 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 481 | 9 | 1 | 5 | 5.1 | CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL181350 | 64114 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 481 | 9 | 1 | 5 | 5.1 | CCN(CC)c1ccc(NC(=O)C2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 | 10.1021/jm0491750 | ||
| 90665848 | 108774 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 507 | 7 | 0 | 6 | 6.1 | COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218648 | 108774 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 507 | 7 | 0 | 6 | 6.1 | COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 23648245 | 91569 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241776 | 91569 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| 145949595 | 162162 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171040 | 162162 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 11846625 | 77516 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| CHEMBL209394 | 77516 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| 44409683 | 75891 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205848 | 75891 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCC3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46882305 | 5736 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 494 | 7 | 4 | 4 | 5.7 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079091 | 5736 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 494 | 7 | 4 | 4 | 5.7 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 11124146 | 98683 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 10 | 6 | 5 | 2.8 | CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL281173 | 98683 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 10 | 6 | 5 | 2.8 | CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 56942855 | 124666 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 601 | 10 | 2 | 6 | 7.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)cc1 | nan | ||
| CHEMBL3645261 | 124666 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 601 | 10 | 2 | 6 | 7.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2ccc3ccccc3c2)NC(=O)OC(C)(C)C)cc1 | nan | ||
| 11016748 | 97885 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 10 | 7 | 4 | 2.4 | CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL275141 | 97885 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 517 | 10 | 7 | 4 | 2.4 | CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 44445602 | 93739 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 537 | 8 | 3 | 5 | 5.9 | O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)c1ccccn1 | 10.1021/jm701292s | ||
| CHEMBL249659 | 93739 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 537 | 8 | 3 | 5 | 5.9 | O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)c1ccccn1 | 10.1021/jm701292s | ||
| 11256439 | 75014 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 344 | 5 | 3 | 6 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C#N)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL203843 | 75014 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 344 | 5 | 3 | 6 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C#N)cc2)cc1 | 10.1021/jm0510934 | ||
| 44390881 | 65757 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 2.7 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2OC)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL183916 | 65757 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 2.7 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccccc2OC)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 44338151 | 109248 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 581 | 11 | 1 | 6 | 5.3 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2F)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL323026 | 109248 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 581 | 11 | 1 | 6 | 5.3 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2F)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| 46882238 | 5691 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 452 | 7 | 4 | 4 | 4.7 | Cc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078699 | 5691 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 452 | 7 | 4 | 4 | 4.7 | Cc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 59446133 | 174452 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4567432 | 174452 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 60195284 | 81184 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)N(Cc1ccccc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163471 | 81184 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)N(Cc1ccccc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44394930 | 65985 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2cccc3c2OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL185028 | 65985 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2cccc3c2OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11016748 | 97885 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 10 | 7 | 4 | 2.4 | CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL275141 | 97885 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 10 | 7 | 4 | 2.4 | CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 59446115 | 173728 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4550305 | 173728 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 60195379 | 81188 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163475 | 81188 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 910 | 22 | 10 | 9 | 2.6 | C[C@H](NC(=O)N(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 46882155 | 5617 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 8 | 4 | 4 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078114 | 5617 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 8 | 4 | 4 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 11145720 | 66988 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 11 | 6 | 4 | 2.9 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC | 10.1021/jm020985q | ||
| CHEMBL18853 | 66988 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 11 | 6 | 4 | 2.9 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC | 10.1021/jm020985q | ||
| 11846628 | 77344 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 431 | 7 | 2 | 6 | 4.2 | CN(C(=O)C1CCCC1)c1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL208930 | 77344 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 431 | 7 | 2 | 6 | 4.2 | CN(C(=O)C1CCCC1)c1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| 156015928 | 176997 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4640615 | 176997 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 3 | 6 | 1.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 16114012 | 167824 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 9 | 3 | 5 | 4.7 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| CHEMBL434738 | 167824 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 9 | 3 | 5 | 4.7 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| 122180018 | 121052 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 527 | 9 | 2 | 9 | 4.3 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586024 | 121052 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 527 | 9 | 2 | 9 | 4.3 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 16113582 | 136103 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 455 | 7 | 4 | 5 | 3.5 | Cn1c(Cc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL373995 | 136103 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 455 | 7 | 4 | 5 | 3.5 | Cn1c(Cc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 46882807 | 5672 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 10 | 4 | 4 | 3.6 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078533 | 5672 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 10 | 4 | 4 | 3.6 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 16114184 | 149946 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 11 | 4 | 7 | 3.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL395441 | 149946 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 11 | 4 | 7 | 3.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 | 10.1021/jm0704550 | ||
| 44446188 | 154840 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL403542 | 154840 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 611 | 11 | 3 | 7 | 6.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44436817 | 166205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 600 | 13 | 4 | 6 | 5.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](N)Cc3ccccc3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL428383 | 166205 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 600 | 13 | 4 | 6 | 5.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](N)Cc3ccccc3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44445618 | 161337 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 12 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)CCc2cccnc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL415134 | 161337 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 12 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)CCc2cccnc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 44436887 | 90514 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 563 | 11 | 5 | 6 | 3.7 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL239464 | 90514 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 563 | 11 | 5 | 6 | 3.7 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 10907396 | 98680 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 10 | 7 | 5 | 1.2 | NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)NC=O)CCNCC1 | 10.1021/jm020985q | ||
| CHEMBL281147 | 98680 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 10 | 7 | 5 | 1.2 | NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)NC=O)CCNCC1 | 10.1021/jm020985q | ||
| 11649239 | 65993 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 514 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL185057 | 65993 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 514 | 9 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 1100 | 1572 | 41 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020985q | ||||
| 6918297 | 1572 | 41 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020985q | ||||
| CHEMBL108335 | 1572 | 41 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020985q | ||||
| 16113580 | 137340 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm701292s | ||
| CHEMBL376258 | 137340 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm701292s | ||
| 16113580 | 137340 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL376258 | 137340 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| 44436883 | 145608 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 604 | 11 | 6 | 7 | 3.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)cc1 | 10.1021/jm0704550 | ||
| CHEMBL391980 | 145608 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 604 | 11 | 6 | 7 | 3.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)cc1 | 10.1021/jm0704550 | ||
| 44436889 | 152511 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 563 | 11 | 3 | 5 | 6.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL397594 | 152511 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 563 | 11 | 3 | 5 | 6.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 11452801 | 138755 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 7 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL379191 | 138755 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 7 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)C3CCCC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 44445625 | 154269 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 5.4 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL400381 | 154269 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 612 | 11 | 3 | 8 | 5.4 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 122180019 | 121053 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586025 | 121053 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 145957443 | 161528 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160928 | 161528 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 10864048 | 97923 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.6 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL275373 | 97923 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.6 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 44389187 | 63676 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL180722 | 63676 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3cccc(Cl)c3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409871 | 75031 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 426 | 7 | 3 | 8 | 2.4 | CN(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203948 | 75031 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 426 | 7 | 3 | 8 | 2.4 | CN(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145959007 | 161695 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163623 | 161695 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145956659 | 161494 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160434 | 161494 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145959787 | 161723 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16113248 | 78739 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 5.6 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113328 | 78739 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 560 | 11 | 3 | 5 | 5.6 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| 11282247 | 165362 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL425048 | 165362 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 11282247 | 165362 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL425048 | 165362 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 445 | 8 | 3 | 6 | 5.3 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 44409802 | 76376 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206687 | 76376 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 9 | 3 | 7 | 4.1 | CCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 156019457 | 177358 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645625 | 177358 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 216208 | 9620 | 27 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL113313 | 9620 | 27 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| 90666037 | 108819 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 6 | 0 | 8 | 3.8 | Cc1ncccc1-c1nc2cn(-c3ccccc3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218910 | 108819 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 6 | 0 | 8 | 3.8 | Cc1ncccc1-c1nc2cn(-c3ccccc3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 | 10.1039/C2MD20340E | ||
| 23648236 | 78727 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 524 | 13 | 3 | 7 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL2113317 | 78727 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 524 | 13 | 3 | 7 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1 | 10.1021/jm0704550 | ||
| 44383343 | 119823 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 606 | 6 | 2 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3Cc4ccccc4CN3)CC2)c2ccccc21 | 10.1021/jm0309452 | ||
| CHEMBL353007 | 119823 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 606 | 6 | 2 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3Cc4ccccc4CN3)CC2)c2ccccc21 | 10.1021/jm0309452 | ||
| 156014693 | 176608 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 530 | 6 | 2 | 8 | 2.9 | CCOc1cc(Cl)c(-c2ccc(-c3nc4c(s3)CN(C(=O)CO)CC4)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4635089 | 176608 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 530 | 6 | 2 | 8 | 2.9 | CCOc1cc(Cl)c(-c2ccc(-c3nc4c(s3)CN(C(=O)CO)CC4)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| 44389151 | 62161 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 445 | 6 | 1 | 4 | 5.7 | CCN(CC)C(=O)c1ccccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178138 | 62161 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 445 | 6 | 1 | 4 | 5.7 | CCN(CC)C(=O)c1ccccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| 44409979 | 140016 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 425 | 7 | 2 | 7 | 3.4 | CCc1nc(N)nc(N(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL381159 | 140016 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 425 | 7 | 2 | 7 | 3.4 | CCc1nc(N)nc(N(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44395020 | 123501 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 9 | 1 | 5 | 6.1 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363021 | 123501 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 9 | 1 | 5 | 6.1 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 16114530 | 84302 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 539 | 13 | 4 | 5 | 5.7 | CCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL222912 | 84302 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 539 | 13 | 4 | 5 | 5.7 | CCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 59446130 | 81192 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 800 | 21 | 10 | 9 | 0.4 | CC(C)CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163479 | 81192 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 800 | 21 | 10 | 9 | 0.4 | CC(C)CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 59446130 | 81192 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 800 | 21 | 10 | 9 | 0.4 | CC(C)CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163479 | 81192 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 800 | 21 | 10 | 9 | 0.4 | CC(C)CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44409761 | 75498 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 453 | 9 | 3 | 7 | 4.4 | CCc1nc(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204880 | 75498 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 453 | 9 | 3 | 7 | 4.4 | CCc1nc(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145956659 | 161494 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160434 | 161494 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 406 | 4 | 4 | 3 | 2.4 | O=C(N[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H]1CCNC1)c1cc2cc(F)ccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145957443 | 161528 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160928 | 161528 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145959007 | 161695 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163623 | 161695 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 436 | 4 | 4 | 5 | 2.8 | N#Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145959787 | 161723 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164107 | 161723 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 4 | 2 | 4 | 3.4 | CN1CCCCC(C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 11328920 | 143498 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 8 | 2 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3cccc(Cl)c3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL390308 | 143498 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 8 | 2 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)C2(NC(=O)OCC(C)C)CCc3cccc(Cl)c3C2)cc1 | 10.1021/jm0491750 | ||
| 122178606 | 120815 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581039 | 120815 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 122178609 | 120819 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 586 | 12 | 2 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581042 | 120819 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 586 | 12 | 2 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/acs.jmedchem.8b00322 | ||
| 44409821 | 75669 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 10 | 4 | 8 | 4.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CCC(=O)NCc3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205711 | 75669 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 10 | 4 | 8 | 4.2 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CCC(=O)NCc3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 46882307 | 5738 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 530 | 8 | 4 | 4 | 6.0 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc34)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079108 | 5738 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 530 | 8 | 4 | 4 | 6.0 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC(C)(C)c3cccc4ccccc34)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 122182044 | 121472 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 552 | 9 | 2 | 6 | 4.9 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593633 | 121472 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 552 | 9 | 2 | 6 | 4.9 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| 5866 | 3554 | 3 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 10.1016/j.bmcl.2005.02.042 | ||
| 9804743 | 3554 | 3 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL360227 | 3554 | 3 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm501702q | ||||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm501702q | ||||
| 11683469 | 76338 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 433 | 6 | 3 | 7 | 3.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206486 | 76338 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 433 | 6 | 3 | 7 | 3.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| 11454617 | 140775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 488 | 8 | 3 | 8 | 4.0 | CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383411 | 140775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 488 | 8 | 3 | 8 | 4.0 | CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 90666029 | 108811 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 510 | 7 | 0 | 9 | 4.5 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(Cc5ccco5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218902 | 108811 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 510 | 7 | 0 | 9 | 4.5 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(Cc5ccco5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 44409672 | 139944 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 479 | 9 | 3 | 9 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccco3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL380971 | 139944 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 479 | 9 | 3 | 9 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccco3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11154823 | 75661 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 8 | 3 | 7 | 4.5 | N#Cc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205660 | 75661 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 8 | 3 | 7 | 4.5 | N#Cc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 11190594 | 75617 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 469 | 10 | 3 | 8 | 3.9 | CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205445 | 75617 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 469 | 10 | 3 | 8 | 3.9 | CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 11583811 | 75619 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 479 | 8 | 3 | 6 | 5.7 | Nc1nc(N)c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205450 | 75619 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 479 | 8 | 3 | 6 | 5.7 | Nc1nc(N)c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 25260900 | 112965 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 593 | 10 | 2 | 9 | 4.3 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCOCC4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319402 | 112965 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 593 | 10 | 2 | 9 | 4.3 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCOCC4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 10918326 | 98502 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N(C)C | 10.1021/jm020985q | ||
| CHEMBL279822 | 98502 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N(C)C | 10.1021/jm020985q | ||
| 44378981 | 13842 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 10 | 2 | 5 | 5.5 | NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1196773 | 13842 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 10 | 2 | 5 | 5.5 | NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL558181 | 13842 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 504 | 10 | 2 | 5 | 5.5 | NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 90666033 | 108815 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 7 | 0 | 8 | 5.3 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCCC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218906 | 108815 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 7 | 0 | 8 | 5.3 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCCC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 16113472 | 168429 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2ccccc2)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL439251 | 168429 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2ccccc2)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 66813470 | 76464 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 459 | 6 | 2 | 6 | 3.3 | O=C(N[C@@H]1COc2cccc(-c3ccc(CO)nc3)c2C1)c1ccc(OCC(F)(F)F)nc1 | 10.1016/j.bmcl.2012.06.105 | ||
| CHEMBL2069411 | 76464 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 459 | 6 | 2 | 6 | 3.3 | O=C(N[C@@H]1COc2cccc(-c3ccc(CO)nc3)c2C1)c1ccc(OCC(F)(F)F)nc1 | 10.1016/j.bmcl.2012.06.105 | ||
| 122180022 | 121056 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 504 | 7 | 2 | 9 | 2.8 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586028 | 121056 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 504 | 7 | 2 | 9 | 2.8 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| 70694649 | 75516 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 475 | 5 | 0 | 7 | 3.2 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-n3nccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048823 | 75516 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 475 | 5 | 0 | 7 | 3.2 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-n3nccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| 10100708 | 11914 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 530 | 9 | 3 | 7 | 0.3 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183387 | 11914 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 530 | 9 | 3 | 7 | 0.3 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL294408 | 11914 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 530 | 9 | 3 | 7 | 0.3 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@@H](N)CO)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| 11577349 | 64885 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 529 | 9 | 1 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCN(C)C2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL182655 | 64885 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 529 | 9 | 1 | 5 | 5.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCN(C)C2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 16114098 | 141067 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 534 | 11 | 3 | 5 | 5.4 | Cc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL385131 | 141067 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 534 | 11 | 3 | 5 | 5.4 | Cc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 11327400 | 75007 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 412 | 8 | 3 | 7 | 4.0 | Nc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL203782 | 75007 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 412 | 8 | 3 | 7 | 4.0 | Nc1nc(N)c(-c2ccc(NCc3ccncc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 44409455 | 75600 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 487 | 6 | 3 | 7 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205286 | 75600 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 487 | 6 | 3 | 7 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c2)cc1 | 10.1021/jm0510934 | ||
| 156019457 | 177358 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645625 | 177358 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 515 | 8 | 3 | 7 | 0.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cn(C)nc4C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 46882306 | 5737 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 8 | 4 | 4 | 5.2 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079107 | 5737 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 8 | 4 | 4 | 5.2 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3cccc4ccccc34)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 11731384 | 162158 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 10 | 7 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1 | 10.1021/jm020985q | ||
| CHEMBL417092 | 162158 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 10 | 7 | 5 | 2.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1 | 10.1021/jm020985q | ||
| 118709470 | 112947 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 4.6 | COc1ccc2nc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319274 | 112947 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 4.6 | COc1ccc2nc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL507636 | 212652 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 156021885 | 177631 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 635 | 10 | 1 | 10 | 4.2 | CCOc1cc(Cl)c(C(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1N1CCO[C@H](C)C1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4649741 | 177631 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 635 | 10 | 1 | 10 | 4.2 | CCOc1cc(Cl)c(C(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1N1CCO[C@H](C)C1 | 10.1016/j.bmcl.2020.126953 | ||
| 70688404 | 75499 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048807 | 75499 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 11114279 | 97784 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 3.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1021/jm020985q | ||
| CHEMBL274460 | 97784 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 3.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1021/jm020985q | ||
| 70688404 | 75499 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2048807 | 75499 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 16113693 | 137476 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 589 | 12 | 4 | 6 | 5.6 | COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL376471 | 137476 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 589 | 12 | 4 | 6 | 5.6 | COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| 216208 | 9620 | 27 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL113313 | 9620 | 27 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1021/acs.jmedchem.8b00322 | ||
| 11827047 | 98750 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 488 | 11 | 6 | 4 | 2.1 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O | 10.1021/jm020985q | ||
| CHEMBL281578 | 98750 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 488 | 11 | 6 | 4 | 2.1 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O | 10.1021/jm020985q | ||
| 9745 | 2410 | 20 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| 9804938 | 2410 | 20 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| CHEMBL278623 | 2410 | 20 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| DB13074 | 2410 | 20 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 10.1021/jm020985q | ||
| 16113124 | 120808 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccncc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581032 | 120808 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccncc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44445605 | 154430 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL401260 | 154430 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 16113578 | 136655 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 542 | 9 | 3 | 5 | 5.7 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL374919 | 136655 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 542 | 9 | 3 | 5 | 5.7 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1cccc2ccccc12 | 10.1021/jm070024h | ||
| 16113584 | 137056 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 441 | 7 | 5 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)[nH]1 | 10.1021/jm070024h | ||
| CHEMBL375568 | 137056 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 441 | 7 | 5 | 4 | 3.5 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)[nH]1 | 10.1021/jm070024h | ||
| 44389168 | 64527 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.8 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL182154 | 64527 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.8 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| 11314908 | 141268 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 377 | 7 | 3 | 6 | 3.4 | CCC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL386290 | 141268 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 377 | 7 | 3 | 6 | 3.4 | CCC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| 11846627 | 79299 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 363 | 6 | 3 | 6 | 3.0 | CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL211581 | 79299 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 363 | 6 | 3 | 6 | 3.0 | CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| 10929048 | 68450 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 488 | 9 | 6 | 4 | 2.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL19220 | 68450 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 488 | 9 | 6 | 4 | 2.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 90666020 | 108802 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 3.5 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218893 | 108802 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 0 | 9 | 3.5 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 16114403 | 146642 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL392805 | 146642 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| 57422673 | 112954 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 474 | 4 | 2 | 7 | 4.1 | CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319282 | 112954 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 474 | 4 | 2 | 7 | 4.1 | CS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 70684154 | 75501 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 3.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048809 | 75501 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 3.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 122180020 | 121054 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586026 | 121054 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 16113710 | 78736 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL2113325 | 78736 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 571 | 10 | 4 | 5 | 5.5 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 122178611 | 120821 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 572 | 11 | 3 | 7 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581044 | 120821 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 572 | 11 | 3 | 7 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 122178614 | 120824 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 660 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581047 | 120824 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 660 | 13 | 2 | 7 | 6.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16114531 | 84238 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 553 | 14 | 4 | 5 | 6.1 | CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL222498 | 84238 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 553 | 14 | 4 | 5 | 6.1 | CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 145974293 | 162462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175823 | 162462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 46882197 | 5650 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 10 | 4 | 4 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078403 | 5650 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 10 | 4 | 4 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44409980 | 75812 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 8 | 3 | 7 | 3.7 | CCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205790 | 75812 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 8 | 3 | 7 | 3.7 | CCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145952740 | 161939 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167481 | 161939 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 44409868 | 76374 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 487 | 9 | 3 | 7 | 4.9 | CCc1nc(N)nc(NCc2ccccc2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206673 | 76374 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 487 | 9 | 3 | 7 | 4.9 | CCc1nc(N)nc(NCc2ccccc2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 156017532 | 177324 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645072 | 177324 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11605822 | 123856 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 9 | 1 | 6 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363930 | 123856 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 9 | 1 | 6 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 162651761 | 179619 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 798 | 19 | 7 | 8 | 3.0 | NCCCC[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O | 10.1016/j.ejmech.2016.07.078 | ||
| CHEMBL4749698 | 179619 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 798 | 19 | 7 | 8 | 3.0 | NCCCC[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O | 10.1016/j.ejmech.2016.07.078 | ||
| 70686292 | 75512 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 461 | 5 | 0 | 8 | 3.0 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048819 | 75512 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 461 | 5 | 0 | 8 | 3.0 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 10186158 | 97977 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| CHEMBL275660 | 97977 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| 122178602 | 120811 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581035 | 120811 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm8014519 | ||||
| CHEMBL3586019 | 210044 | 4 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(N)=O | 10.1016/j.bmcl.2015.04.040 | ||||
| 122180025 | 121059 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 7 | 2 | 8 | 3.6 | CC(=O)N1CC=C(c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586031 | 121059 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 7 | 2 | 8 | 3.6 | CC(=O)N1CC=C(c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 | 10.1016/j.bmcl.2015.04.040 | ||
| 156017532 | 177324 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4645072 | 177324 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145952740 | 161939 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167481 | 161939 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 4 | 3 | 5 | 3.0 | Cn1c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2NC(=O)c2cnccc2N)cc2ccccc21 | 10.1021/acs.jmedchem.8b00322 | ||
| 145974293 | 162462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175823 | 162462 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 432 | 4 | 2 | 5 | 2.0 | CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44436881 | 91142 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 10 | 4 | 6 | 4.6 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1cccs1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL240746 | 91142 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 10 | 4 | 6 | 4.6 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1cccs1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 122182189 | 121481 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593814 | 121481 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 122180016 | 121050 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 9 | 2 | 9 | 5.1 | CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586022 | 121050 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 9 | 2 | 9 | 5.1 | CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 46882199 | 5669 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 4.4 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078498 | 5669 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 4.4 | CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44301462 | 11142 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1179075 | 11142 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL58758 | 11142 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 623 | 15 | 4 | 9 | 0.2 | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 90666042 | 108824 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 550 | 8 | 0 | 9 | 4.4 | Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218915 | 108824 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 550 | 8 | 0 | 9 | 4.4 | Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 | 10.1039/C2MD20340E | ||
| 25262771 | 112952 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 480 | 7 | 3 | 7 | 3.7 | CC(C)NCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319280 | 112952 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 480 | 7 | 3 | 7 | 3.7 | CC(C)NCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 42624370 | 188240 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1797 | 64 | 25 | 24 | -7.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 44582537 | 188240 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1797 | 64 | 25 | 24 | -7.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 91935104 | 188240 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1797 | 64 | 25 | 24 | -7.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| CHEMBL506624 | 188240 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1797 | 64 | 25 | 24 | -7.0 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 44445617 | 154126 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL399649 | 154126 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 11163070 | 65222 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 322 | 5 | 1 | 2 | 4.3 | CCN(CC)c1ccc(NC(=O)C2CCc3ccccc3C2)cc1 | 10.1021/jm0491750 | ||
| CHEMBL183123 | 65222 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 322 | 5 | 1 | 2 | 4.3 | CCN(CC)c1ccc(NC(=O)C2CCc3ccccc3C2)cc1 | 10.1021/jm0491750 | ||
| 156012428 | 176726 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 649 | 10 | 1 | 10 | 4.6 | CCOc1cc(Cl)c(C(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1N1C[C@H](C)O[C@H](C)C1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4636832 | 176726 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 649 | 10 | 1 | 10 | 4.6 | CCOc1cc(Cl)c(C(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)cc1N1C[C@H](C)O[C@H](C)C1 | 10.1016/j.bmcl.2020.126953 | ||
| 46882766 | 5581 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 11 | 4 | 4 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1077839 | 5581 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 418 | 11 | 4 | 4 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44436813 | 146762 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 522 | 11 | 4 | 5 | 4.5 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL392902 | 146762 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 522 | 11 | 4 | 5 | 4.5 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44410013 | 76685 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 453 | 10 | 3 | 7 | 4.5 | CCCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL207268 | 76685 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 453 | 10 | 3 | 7 | 4.5 | CCCCNc1nc(N)nc(CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44235473 | 81191 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163478 | 81191 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 44235473 | 81191 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163478 | 81191 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 834 | 21 | 10 | 9 | 0.9 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44409839 | 75890 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 7 | 4 | 8 | 2.0 | CNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205847 | 75890 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 7 | 4 | 8 | 2.0 | CNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16114099 | 136687 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 559 | 10 | 4 | 5 | 5.5 | Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL375103 | 136687 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 559 | 10 | 4 | 5 | 5.5 | Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 16113372 | 78729 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113319 | 78729 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2)cc1 | 10.1021/jm0704550 | ||
| 46882273 | 5726 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 10 | 4 | 4 | 5.8 | CCCCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078982 | 5726 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 10 | 4 | 4 | 5.8 | CCCCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 122182044 | 121472 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 552 | 9 | 2 | 6 | 4.9 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593633 | 121472 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 552 | 9 | 2 | 6 | 4.9 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| 121879 | 2195 | 19 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| 5868 | 2195 | 19 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| CHEMBL308716 | 2195 | 19 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| CHEMBL2370788 | 208166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm020985q | ||||
| 145950261 | 162167 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171137 | 162167 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44394974 | 66662 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 7.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCOCC2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL186974 | 66662 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 7.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCOCC2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44445615 | 161308 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2cccnc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL414929 | 161308 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2cccnc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 16113370 | 78734 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113323 | 78734 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| 145953016 | 162025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4168863 | 162025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156012445 | 176751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637284 | 176751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 10186158 | 97977 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| CHEMBL275660 | 97977 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| 11617435 | 75629 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 359 | 5 | 3 | 6 | 4.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205486 | 75629 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 359 | 5 | 3 | 6 | 4.2 | CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1 | 10.1021/jm0510934 | ||
| 70696689 | 75514 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5cccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048821 | 75514 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5cccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 70694647 | 75500 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 3.2 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048808 | 75500 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 3.2 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 56942242 | 124662 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | nan | ||
| CHEMBL3645257 | 124662 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | nan | ||
| 122178605 | 120814 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581038 | 120814 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 574 | 11 | 2 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44445611 | 154125 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL399648 | 154125 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 122182189 | 121481 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593814 | 121481 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 56942385 | 124665 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | nan | ||
| CHEMBL3645260 | 124665 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | nan | ||
| CHEMBL501261 | 212354 | 19 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCNC(=N)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 56942099 | 124661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | nan | ||
| CHEMBL3645256 | 124661 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | nan | ||
| 56942243 | 124663 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | nan | ||
| CHEMBL3645258 | 124663 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | nan | ||
| 122178608 | 120818 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 570 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581041 | 120818 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 570 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 44409673 | 76382 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 9 | 3 | 9 | 3.9 | Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)o1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206741 | 76382 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 9 | 3 | 9 | 3.9 | Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(S(C)(=O)=O)cc3)cc2)o1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL105462 | 206716 | 34 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||||
| 11690097 | 76304 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206446 | 76304 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 57422695 | 112964 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 574 | 10 | 2 | 9 | 4.6 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccn4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319401 | 112964 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 574 | 10 | 2 | 9 | 4.6 | CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccn4)ccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 25124566 | 1836 | 6 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 10.1021/jm5003183 | ||
| 5870 | 1836 | 6 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 10.1021/jm5003183 | ||
| CHEMBL3358452 | 1836 | 6 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.1 | O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 10.1021/jm5003183 | ||
| 156013219 | 176905 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639379 | 176905 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145957574 | 161739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164328 | 161739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 46882805 | 5732 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 13 | 4 | 4 | 5.1 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NCC)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079046 | 5732 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 13 | 4 | 4 | 5.1 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NCC)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 53390538 | 91831 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426681 | 91831 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(99)00584-3 | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1016/s0960-894x(99)00584-3 | ||
| 44445629 | 161339 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 559 | 10 | 2 | 8 | 4.9 | COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL415136 | 161339 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 559 | 10 | 2 | 8 | 4.9 | COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 16204239 | 135748 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL373393 | 135748 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| 11508639 | 76167 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL206091 | 76167 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| 216208 | 9620 | 27 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL113313 | 9620 | 27 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 11846630 | 138393 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 7 | 3 | 7 | 3.7 | Nc1nc(N)c(-c2ccc(NC(=O)c3ccncc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL378438 | 138393 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 7 | 3 | 7 | 3.7 | Nc1nc(N)c(-c2ccc(NC(=O)c3ccncc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 156012445 | 176751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637284 | 176751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4cnccn4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145953016 | 162025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4168863 | 162025 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 5 | 2 | 4 | 3.2 | CN1CCC[C@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145949755 | 162372 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174302 | 162372 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16204241 | 83993 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 520 | 11 | 3 | 5 | 4.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL221996 | 83993 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 520 | 11 | 3 | 5 | 4.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| 11221946 | 140302 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL381942 | 140302 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm0510934 | ||
| 11221946 | 140302 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL381942 | 140302 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 5 | 3 | 5 | 4.1 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1021/jm060461g | ||
| 46882104 | 5863 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 460 | 12 | 4 | 4 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079873 | 5863 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 460 | 12 | 4 | 4 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 145956415 | 161502 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160541 | 161502 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950261 | 162167 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4171137 | 162167 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 11654867 | 75833 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 7 | 3 | 5 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205833 | 75833 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 7 | 3 | 5 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 10415364 | 126233 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365294 | 126233 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020985q | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020985q | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm020985q | ||
| 16114404 | 154346 | 18 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 508 | 11 | 3 | 6 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL400814 | 154346 | 18 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 508 | 11 | 3 | 6 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 90666014 | 108796 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 5 | 0 | 7 | 4.6 | Cc1ccccc1-c1nc2cn(-c3cccc(C#N)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218887 | 108796 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 5 | 0 | 7 | 4.6 | Cc1ccccc1-c1nc2cn(-c3cccc(C#N)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 44436885 | 145884 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 634 | 12 | 6 | 8 | 3.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL392191 | 145884 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 634 | 12 | 6 | 8 | 3.6 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm0704550 | ||
| 44436829 | 151934 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 550 | 11 | 4 | 6 | 4.3 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL397109 | 151934 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 550 | 11 | 4 | 6 | 4.3 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 16114404 | 154346 | 18 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 508 | 11 | 3 | 6 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/jm0704550 | ||
| CHEMBL400814 | 154346 | 18 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 508 | 11 | 3 | 6 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/jm0704550 | ||
| 122182047 | 121475 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593636 | 121475 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 70684155 | 75517 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 5 | 0 | 6 | 4.1 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-c3ncccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048824 | 75517 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 5 | 0 | 6 | 4.1 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-c3ncccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2163483 | 207570 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||||
| CHEMBL2163483 | 207570 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||||
| 44409872 | 74701 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 467 | 7 | 2 | 8 | 3.1 | CCc1nc(N)nc(N2CCOCC2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203581 | 74701 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 467 | 7 | 2 | 8 | 3.1 | CCc1nc(N)nc(N2CCOCC2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44445596 | 154094 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 558 | 10 | 2 | 7 | 5.5 | COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL399448 | 154094 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 558 | 10 | 2 | 7 | 5.5 | COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 16113692 | 136699 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 559 | 11 | 4 | 5 | 5.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL375162 | 136699 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 559 | 11 | 4 | 5 | 5.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| 118709504 | 112967 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 572 | 5 | 2 | 9 | 4.3 | Cc1ccnn1-c1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)C4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| CHEMBL3319404 | 112967 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 572 | 5 | 2 | 9 | 4.3 | Cc1ccnn1-c1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)C4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| 10907396 | 98680 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 515 | 10 | 7 | 5 | 1.2 | NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)NC=O)CCNCC1 | 10.1021/jm020985q | ||
| CHEMBL281147 | 98680 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 515 | 10 | 7 | 5 | 1.2 | NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)NC=O)CCNCC1 | 10.1021/jm020985q | ||
| 11677781 | 124525 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 9 | 1 | 5 | 5.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN(C)C(C)=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL364430 | 124525 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 9 | 1 | 5 | 5.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN(C)C(C)=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44445606 | 154463 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 625 | 12 | 3 | 7 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL401467 | 154463 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 625 | 12 | 3 | 7 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 44379034 | 12800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 9 | 2 | 5 | 5.1 | NCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1189120 | 12800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 9 | 2 | 5 | 5.1 | NCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL538068 | 12800 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 9 | 2 | 5 | 5.1 | NCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 44378986 | 12969 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 470 | 10 | 2 | 5 | 3.2 | NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1190325 | 12969 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 470 | 10 | 2 | 5 | 3.2 | NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL540603 | 12969 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 470 | 10 | 2 | 5 | 3.2 | NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 11697618 | 62255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 6 | 1 | 4 | 5.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Br)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178289 | 62255 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 6 | 1 | 4 | 5.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Br)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145956415 | 161502 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160541 | 161502 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 4 | 2 | 4 | 2.6 | CN1CC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44436886 | 161394 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 12 | 5 | 8 | 3.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL415674 | 161394 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 12 | 5 | 8 | 3.2 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 145949755 | 162372 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174302 | 162372 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 4 | 4 | 4 | 3.3 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3cnccc3N)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 23648242 | 78731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 571 | 10 | 4 | 5 | 5.7 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113320 | 78731 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 571 | 10 | 4 | 5 | 5.7 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1021/jm0704550 | ||
| 11606121 | 64230 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 523 | 6 | 2 | 6 | 5.9 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181584 | 64230 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 523 | 6 | 2 | 6 | 5.9 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2004.11.075 | ||
| 122180023 | 121057 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 7 | 2 | 8 | 3.8 | C[C@H]1CN(c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586029 | 121057 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 7 | 2 | 8 | 3.8 | C[C@H]1CN(c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 | 10.1016/j.bmcl.2015.04.040 | ||
| 44379301 | 12934 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 506 | 9 | 2 | 7 | 3.7 | COC(=O)C(CCCCN)NC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Cl)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1190091 | 12934 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 506 | 9 | 2 | 7 | 3.7 | COC(=O)C(CCCCN)NC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Cl)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL540093 | 12934 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 506 | 9 | 2 | 7 | 3.7 | COC(=O)C(CCCCN)NC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Cl)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 44338300 | 167269 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 525 | 10 | 1 | 6 | 4.0 | CN(C)CCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL430882 | 167269 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 525 | 10 | 1 | 6 | 4.0 | CN(C)CCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S | 10.1016/j.bmcl.2003.11.012 | ||
| 44338239 | 167324 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 511 | 9 | 1 | 6 | 4.2 | CN(C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL431245 | 167324 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 511 | 9 | 1 | 6 | 4.2 | CN(C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S | 10.1016/j.bmcl.2003.11.012 | ||
| 44409762 | 75518 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 441 | 9 | 4 | 8 | 2.7 | CCc1nc(N)nc(NCCO)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204884 | 75518 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 441 | 9 | 4 | 8 | 2.7 | CCc1nc(N)nc(NCCO)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122180018 | 121052 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 527 | 9 | 2 | 9 | 4.3 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586024 | 121052 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 527 | 9 | 2 | 9 | 4.3 | CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 122182189 | 121481 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593814 | 121481 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 10032659 | 11931 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 587 | 11 | 4 | 8 | -0.5 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@H](CO)NC(=O)CN)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183505 | 11931 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 587 | 11 | 4 | 8 | -0.5 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@H](CO)NC(=O)CN)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL301259 | 11931 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 587 | 11 | 4 | 8 | -0.5 | CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)[C@H](CO)NC(=O)CN)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00324-9 | ||
| 60195019 | 81178 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 849 | 21 | 10 | 8 | 2.2 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163464 | 81178 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 849 | 21 | 10 | 8 | 2.2 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 156009875 | 176539 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633695 | 176539 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 11430583 | 79792 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 8 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL213704 | 79792 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 8 | 3 | 6 | 4.2 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 11517629 | 167764 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 431 | 6 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL434330 | 167764 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 431 | 6 | 1 | 4 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409975 | 75423 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 411 | 7 | 3 | 7 | 3.3 | CCc1nc(N)nc(NC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204835 | 75423 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 411 | 7 | 3 | 7 | 3.3 | CCc1nc(N)nc(NC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 53391301 | 91828 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426678 | 91828 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 90666019 | 108801 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 3.8 | COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(C4CCCCC4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218892 | 108801 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 464 | 7 | 0 | 8 | 3.8 | COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(C4CCCCC4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 11669486 | 64268 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 6.6 | CCc1cc(N(CC)CC)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181736 | 64268 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 7 | 1 | 4 | 6.6 | CCc1cc(N(CC)CC)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | 10.1016/j.bmcl.2004.11.075 | ||
| 59446141 | 81194 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163481 | 81194 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 59446141 | 81194 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163481 | 81194 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44436917 | 90204 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 5.3 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL239007 | 90204 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 562 | 11 | 4 | 5 | 5.3 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 60165265 | 115685 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 453 | 5 | 1 | 2 | 6.0 | CC(NC(=O)N(Cc1ccccc1Cl)C1CCN(C)CC1)c1cccc(Cl)c1Cl | 10.1021/jm5003183 | ||
| CHEMBL3358453 | 115685 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 453 | 5 | 1 | 2 | 6.0 | CC(NC(=O)N(Cc1ccccc1Cl)C1CCN(C)CC1)c1cccc(Cl)c1Cl | 10.1021/jm5003183 | ||
| 16113002 | 147769 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 577 | 12 | 4 | 7 | 4.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL393693 | 147769 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 577 | 12 | 4 | 7 | 4.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 | 10.1021/jm0704550 | ||
| 44409678 | 140673 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 9 | 3 | 9 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3cccnc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL382853 | 140673 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 9 | 3 | 9 | 3.4 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3cccnc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122178604 | 120813 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581037 | 120813 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 10929048 | 68450 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 488 | 9 | 6 | 4 | 2.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL19220 | 68450 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 488 | 9 | 6 | 4 | 2.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 60195018 | 81177 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 834 | 21 | 9 | 7 | 3.2 | CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN(CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163463 | 81177 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 834 | 21 | 9 | 7 | 3.2 | CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN(CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44394913 | 126639 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 10 | 1 | 5 | 7.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccccc2OC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365721 | 126639 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 10 | 1 | 5 | 7.5 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccccc2OC)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11649248 | 66322 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 7.2 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL185399 | 66322 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 515 | 9 | 1 | 5 | 7.2 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44394833 | 126291 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 9 | 1 | 5 | 6.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2C(=O)CCC2(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365460 | 126291 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 9 | 1 | 5 | 6.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2C(=O)CCC2(C)C)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11827047 | 98750 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 488 | 11 | 6 | 4 | 2.1 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O | 10.1021/jm020985q | ||
| CHEMBL281578 | 98750 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 488 | 11 | 6 | 4 | 2.1 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O | 10.1021/jm020985q | ||
| 42624359 | 192788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1755 | 61 | 25 | 24 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 44582536 | 192788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1755 | 61 | 25 | 24 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 91935103 | 192788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1755 | 61 | 25 | 24 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| CHEMBL525751 | 192788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1755 | 61 | 25 | 24 | -8.1 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CNC(=O)CCCCCCCCF)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C | 10.1021/jm8014519 | ||
| 156009875 | 176539 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633695 | 176539 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 8 | 3 | 7 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccnnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156021942 | 177639 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649860 | 177639 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 122180021 | 121055 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 7 | 2 | 7 | 4.9 | O=C(NCC1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586027 | 121055 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 7 | 2 | 7 | 4.9 | O=C(NCC1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 11134880 | 98959 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 10 | 6 | 4 | 2.1 | O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 | 10.1021/jm020985q | ||
| CHEMBL282891 | 98959 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 10 | 6 | 4 | 2.1 | O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 | 10.1021/jm020985q | ||
| 11846629 | 138277 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 7 | 3 | 7 | 3.1 | Nc1nc(N)c(-c2ccc(NC(=O)C3CCCO3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL378118 | 138277 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 419 | 7 | 3 | 7 | 3.1 | Nc1nc(N)c(-c2ccc(NC(=O)C3CCCO3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 11114279 | 97784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 3.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1021/jm020985q | ||
| CHEMBL274460 | 97784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 544 | 12 | 6 | 4 | 3.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C | 10.1021/jm020985q | ||
| 145952396 | 162441 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175534 | 162441 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| 122178607 | 120817 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 592 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581040 | 120817 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 592 | 11 | 2 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 156013219 | 176905 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639379 | 176905 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145957574 | 161739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164328 | 161739 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 11846463 | 138699 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 422 | 5 | 2 | 8 | 2.7 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)ncn2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| CHEMBL378909 | 138699 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 422 | 5 | 2 | 8 | 2.7 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)ncn2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| 9890863 | 131457 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL369533 | 131457 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CC)CCN1C(=O)C(O)(c2ccccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 44409864 | 75133 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 502 | 9 | 3 | 8 | 4.0 | CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL204266 | 75133 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 502 | 9 | 3 | 8 | 4.0 | CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122180027 | 121061 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 5.2 | CC(C)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586033 | 121061 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 566 | 8 | 2 | 7 | 5.2 | CC(C)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 11430392 | 76356 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 431 | 6 | 3 | 7 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 | 10.1021/jm0510934 | ||
| CHEMBL206588 | 76356 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 431 | 6 | 3 | 7 | 3.5 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Cl)c1 | 10.1021/jm0510934 | ||
| 57785737 | 112930 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 549 | 7 | 2 | 8 | 3.7 | CN1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319216 | 112930 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 549 | 7 | 2 | 8 | 3.7 | CN1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 44390871 | 64496 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2c(Cl)cccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL182035 | 64496 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 4.0 | CCN(CC)CCN1C(=O)[C@@](O)(c2c(Cl)cccc2Cl)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 70682037 | 75513 | 14 | None | 43 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048820 | 75513 | 14 | None | 43 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 156021297 | 177505 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647797 | 177505 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 90666040 | 108822 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 9 | 0 | 9 | 4.6 | CCCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218913 | 108822 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 9 | 0 | 9 | 4.6 | CCCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 90666026 | 108808 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 9 | 0 | 9 | 4.1 | CCO[C@H](C)CN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218899 | 108808 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 9 | 0 | 9 | 4.1 | CCO[C@H](C)CN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 16204021 | 84269 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 524 | 10 | 3 | 5 | 4.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| CHEMBL222710 | 84269 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 524 | 10 | 3 | 5 | 4.9 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| 122180014 | 121048 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 539 | 9 | 2 | 8 | 5.8 | CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586020 | 121048 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 539 | 9 | 2 | 8 | 5.8 | CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 90666016 | 108798 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 481 | 5 | 0 | 9 | 2.9 | Cc1ncccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C2COC2)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218889 | 108798 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 481 | 5 | 0 | 9 | 2.9 | Cc1ncccc1-c1nc2cn(-c3ccc(C#N)cc3)nc2c(=O)n1CC1CCCN(C2COC2)C1 | 10.1039/C2MD20340E | ||
| 44389186 | 64269 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 379 | 7 | 1 | 5 | 4.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3OC)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181739 | 64269 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 379 | 7 | 1 | 5 | 4.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3OC)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44338266 | 109831 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.3 | CN(C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL323974 | 109831 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.3 | CN(C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2003.11.012 | ||
| 70692602 | 75508 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 423 | 8 | 0 | 5 | 3.5 | CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048815 | 75508 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 423 | 8 | 0 | 5 | 3.5 | CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| 11455251 | 160755 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 523 | 8 | 3 | 7 | 5.0 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3Br)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL412362 | 160755 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 523 | 8 | 3 | 7 | 5.0 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3Br)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 156021942 | 177639 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4649860 | 177639 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 8 | 3 | 5 | 1.1 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 16204037 | 136696 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccccc1Cn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL375150 | 136696 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 522 | 10 | 3 | 6 | 4.5 | COc1ccccc1Cn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 11582836 | 62569 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 7 | 1 | 4 | 6.4 | CCCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178463 | 62569 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 431 | 7 | 1 | 4 | 6.4 | CCCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44389131 | 63117 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 485 | 6 | 1 | 4 | 7.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL179812 | 63117 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 485 | 6 | 1 | 4 | 7.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 122180025 | 121059 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 7 | 2 | 8 | 3.6 | CC(=O)N1CC=C(c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586031 | 121059 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 7 | 2 | 8 | 3.6 | CC(=O)N1CC=C(c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 | 10.1016/j.bmcl.2015.04.040 | ||
| 122178612 | 120822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 572 | 11 | 2 | 6 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581045 | 120822 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 572 | 11 | 2 | 6 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16203237 | 96490 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 496 | 10 | 3 | 6 | 4.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1 | 10.1021/jm070024h | ||
| CHEMBL266199 | 96490 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 496 | 10 | 3 | 6 | 4.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1 | 10.1021/jm070024h | ||
| 44582531 | 188126 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 3368 | 117 | 49 | 47 | -15.3 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm8014519 | ||
| 91935100 | 188126 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 3368 | 117 | 49 | 47 | -15.3 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm8014519 | ||
| CHEMBL504776 | 188126 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 3368 | 117 | 49 | 47 | -15.3 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm8014519 | ||
| 59446148 | 174467 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 21 | 10 | 9 | 1.3 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4567800 | 174467 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 840 | 21 | 10 | 9 | 1.3 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(CC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 46882152 | 5763 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 12 | 4 | 4 | 4.1 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCCN)c2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079302 | 5763 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 12 | 4 | 4 | 4.1 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCCN)c2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 11655355 | 74057 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)s3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL202642 | 74057 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)s3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 145952396 | 162441 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175534 | 162441 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 434 | 9 | 3 | 5 | 2.3 | COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C | 10.1021/acs.jmedchem.8b00322 | ||
| 46882764 | 5540 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 9 | 3 | 3 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1077716 | 5540 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 375 | 9 | 3 | 3 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 16114290 | 136671 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 534 | 11 | 3 | 5 | 5.3 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL374992 | 136671 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 534 | 11 | 3 | 5 | 5.3 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 90666015 | 108797 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 7 | 0 | 9 | 3.2 | COCCN1CCCC(Cn2c(-c3cccnc3C)nc3cn(-c4ccc(C#N)cc4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218888 | 108797 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 7 | 0 | 9 | 3.2 | COCCN1CCCC(Cn2c(-c3cccnc3C)nc3cn(-c4ccc(C#N)cc4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 44436831 | 151452 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 580 | 12 | 4 | 7 | 4.3 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL396681 | 151452 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 580 | 12 | 4 | 7 | 4.3 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 25262608 | 112951 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 3.8 | O=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)CCN3CCCC3)cc2s1 | 10.1021/jm500610n | ||
| CHEMBL3319279 | 112951 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 3.8 | O=C(NC(=O)c1ccccc1Cl)Nc1nc2ccc(S(=O)(=O)CCN3CCCC3)cc2s1 | 10.1021/jm500610n | ||
| 10918326 | 98502 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N(C)C | 10.1021/jm020985q | ||
| CHEMBL279822 | 98502 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 10 | 5 | 4 | 2.8 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N(C)C | 10.1021/jm020985q | ||
| 16203918 | 84349 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 570 | 9 | 3 | 5 | 5.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(Br)cc1 | 10.1021/jm070024h | ||
| CHEMBL223239 | 84349 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 570 | 9 | 3 | 5 | 5.3 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(Br)cc1 | 10.1021/jm070024h | ||
| 70696687 | 75505 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4cccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048812 | 75505 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4cccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 46882105 | 6259 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 12 | 4 | 4 | 4.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)CN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1082044 | 6259 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 12 | 4 | 4 | 4.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)CN)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44446189 | 154823 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL403426 | 154823 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 618 | 11 | 3 | 7 | 6.3 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC2CCOCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44446157 | 94202 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 594 | 13 | 3 | 8 | 4.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](CC(=O)OCc2ccccc2)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252501 | 94202 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 594 | 13 | 3 | 8 | 4.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](CC(=O)OCc2ccccc2)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44446148 | 154867 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL403683 | 154867 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44410008 | 140707 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 9 | 2 | 7 | 4.2 | CCc1nc(N)nc(N(CC)CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL383058 | 140707 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 9 | 2 | 7 | 4.2 | CCc1nc(N)nc(N(CC)CC)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 59446143 | 81174 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 802 | 17 | 11 | 8 | 0.6 | C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | nan | ||
| CHEMBL2163448 | 81174 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 802 | 17 | 11 | 8 | 0.6 | C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | nan | ||
| 59446143 | 81174 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 802 | 17 | 11 | 8 | 0.6 | C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163448 | 81174 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 802 | 17 | 11 | 8 | 0.6 | C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1021/jm300557t | ||
| 44338221 | 7951 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 581 | 11 | 1 | 7 | 4.2 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=S)N1CCCN1CCOCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL109094 | 7951 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 581 | 11 | 1 | 7 | 4.2 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=S)N1CCCN1CCOCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| 60195113 | 81181 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 787 | 17 | 9 | 7 | 2.5 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163467 | 81181 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 787 | 17 | 9 | 7 | 2.5 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O | 10.1021/jm300557t | ||
| 46882804 | 5731 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 446 | 11 | 4 | 4 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079045 | 5731 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 446 | 11 | 4 | 4 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 10864048 | 97923 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.6 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL275373 | 97923 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.6 | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 156016110 | 177114 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 628 | 7 | 1 | 9 | 5.1 | CCOc1cc(Cl)c(-c2ccc(-c3nc4ccc(S(=O)(=O)C5CCN(C)CC5)cc4s3)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4642043 | 177114 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 628 | 7 | 1 | 9 | 5.1 | CCOc1cc(Cl)c(-c2ccc(-c3nc4ccc(S(=O)(=O)C5CCN(C)CC5)cc4s3)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| 156017268 | 177066 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641472 | 177066 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 59446118 | 174118 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)N(Cc1cccc2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4559602 | 174118 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)N(Cc1cccc2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 60195285 | 81186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)N(Cc1cccc2ccccc12)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163473 | 81186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)N(Cc1cccc2ccccc12)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44436868 | 145538 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 4 | 5 | 4.6 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1c1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL391922 | 145538 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 4 | 5 | 4.6 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1c1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 44394947 | 168646 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL440939 | 168646 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 9 | 1 | 6 | 7.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 122180022 | 121056 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 7 | 2 | 9 | 2.8 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586028 | 121056 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 7 | 2 | 9 | 2.8 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2CCOCC2)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| 11751384 | 140962 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 9 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL384524 | 140962 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 9 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 122180026 | 121060 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 566 | 7 | 2 | 7 | 4.4 | CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586032 | 121060 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 566 | 7 | 2 | 7 | 4.4 | CC(=O)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 122182043 | 121471 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 580 | 7 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593632 | 121471 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 580 | 7 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| 16204226 | 84361 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 12 | 3 | 5 | 5.1 | CCCCCCn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL223323 | 84361 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 12 | 3 | 5 | 5.1 | CCCCCCn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 118709472 | 112950 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 409 | 3 | 2 | 6 | 3.3 | CS(=O)(=O)c1ccc2sc(NC(=O)NC(=O)c3ccccc3Cl)nc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319277 | 112950 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 409 | 3 | 2 | 6 | 3.3 | CS(=O)(=O)c1ccc2sc(NC(=O)NC(=O)c3ccccc3Cl)nc2c1 | 10.1021/jm500610n | ||
| 46882196 | 5649 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 418 | 9 | 4 | 4 | 3.7 | CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078402 | 5649 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 418 | 9 | 4 | 4 | 3.7 | CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44379303 | 12715 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 11 | 2 | 5 | 4.1 | NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1188529 | 12715 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 11 | 2 | 5 | 4.1 | NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL536706 | 12715 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 468 | 11 | 2 | 5 | 4.1 | NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(-c3ccccc3)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL2310893 | 207741 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 44445614 | 168732 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 6.0 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2cccnc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL441567 | 168732 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 6.0 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2cccnc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 44445598 | 93927 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 9 | 3 | 5 | 6.5 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL250807 | 93927 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 9 | 3 | 5 | 6.5 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 145949381 | 162153 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170865 | 162153 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44436832 | 151454 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 11 | 4 | 5 | 4.9 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL396682 | 151454 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 11 | 4 | 5 | 4.9 | CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 44445626 | 96606 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 573 | 11 | 2 | 8 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL267197 | 96606 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 573 | 11 | 2 | 8 | 4.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 90666025 | 108807 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 516 | 9 | 0 | 9 | 4.1 | CCO[C@@H](C)CN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218898 | 108807 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 516 | 9 | 0 | 9 | 4.1 | CCO[C@@H](C)CN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 156012122 | 176797 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637980 | 176797 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156012122 | 176797 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4637980 | 176797 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156021297 | 177505 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4647797 | 177505 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.0 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 90666024 | 108806 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218897 | 108806 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 57422776 | 112932 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 559 | 7 | 2 | 8 | 3.3 | C#Cc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| CHEMBL3319218 | 112932 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 559 | 7 | 2 | 8 | 3.3 | C#Cc1ccc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)CCCN4CCN(C)CC4)cc3s2)c1 | 10.1021/jm500610n | ||
| 162657463 | 180448 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 783 | 20 | 7 | 7 | 4.0 | NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O | 10.1016/j.ejmech.2016.07.078 | ||
| CHEMBL4759415 | 180448 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 783 | 20 | 7 | 7 | 4.0 | NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O | 10.1016/j.ejmech.2016.07.078 | ||
| 44409990 | 76149 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 481 | 12 | 3 | 7 | 5.2 | CCCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205995 | 76149 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 481 | 12 | 3 | 7 | 5.2 | CCCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122180024 | 121058 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 530 | 7 | 2 | 9 | 3.4 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2C[C@@H]3CC[C@H](C2)O3)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586030 | 121058 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 530 | 7 | 2 | 9 | 3.4 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2C[C@@H]3CC[C@H](C2)O3)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| 44409758 | 75606 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 411 | 6 | 3 | 7 | 3.4 | CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205374 | 75606 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 411 | 6 | 3 | 7 | 3.4 | CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 122182190 | 121482 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593815 | 121482 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 507 | 7 | 3 | 6 | 4.7 | Cc1ccc(CNC(=O)c2cc(C#CC(C)(C)O)cnc2NCc2ccc3c(c2)OCO3)cc1C(F)F | 10.1016/j.bmc.2015.05.047 | ||
| 44409684 | 140341 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 8 | 4 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL382033 | 140341 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 8 | 4 | 8 | 3.9 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16113003 | 94296 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 617 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL253126 | 94296 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 617 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 | 10.1021/jm701292s | ||
| 16113003 | 94296 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 617 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL253126 | 94296 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 617 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 | 10.1021/jm0704550 | ||
| 122182047 | 121475 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593636 | 121475 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 90666030 | 108812 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 7 | 0 | 8 | 4.3 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218903 | 108812 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 7 | 0 | 8 | 4.3 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC(C)C)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 11605333 | 76357 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 6 | 3 | 7 | 3.6 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Br)c1 | 10.1021/jm0510934 | ||
| CHEMBL206589 | 76357 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 6 | 3 | 7 | 3.6 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)c(Br)c1 | 10.1021/jm0510934 | ||
| 122182046 | 121474 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 586 | 8 | 2 | 6 | 5.6 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593635 | 121474 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 586 | 8 | 2 | 6 | 5.6 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 11281346 | 75650 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 411 | 8 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL205568 | 75650 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 411 | 8 | 3 | 6 | 4.6 | Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 145949381 | 162153 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4170865 | 162153 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 411 | 4 | 4 | 4 | 3.0 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16204145 | 136016 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 492 | 9 | 3 | 5 | 4.5 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL373772 | 136016 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 492 | 9 | 3 | 5 | 4.5 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccc1 | 10.1021/jm070024h | ||
| 90666036 | 108818 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 479 | 8 | 0 | 8 | 3.7 | COc1cccc(-n2cc3nc(CC(C)C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218909 | 108818 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 479 | 8 | 0 | 8 | 3.7 | COc1cccc(-n2cc3nc(CC(C)C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 44338235 | 109161 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 546 | 7 | 3 | 6 | 4.1 | O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1C1CCNCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL322499 | 109161 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 546 | 7 | 3 | 6 | 4.1 | O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1C1CCNCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| 156016392 | 177062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641386 | 177062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156017268 | 177066 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641472 | 177066 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 497 | 8 | 3 | 5 | 1.6 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145958317 | 161751 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164531 | 161751 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145949880 | 162229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172217 | 162229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950963 | 162244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172411 | 162244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 156016392 | 177062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641386 | 177062 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 3 | 5 | 1.8 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 44445608 | 154464 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 6.0 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL401468 | 154464 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 11 | 2 | 5 | 6.0 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 59446116 | 81172 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 777 | 17 | 9 | 8 | 0.8 | C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163439 | 81172 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 777 | 17 | 9 | 8 | 0.8 | C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1021/jm300557t | ||
| 23631387 | 92821 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 5.1 | Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| CHEMBL244936 | 92821 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 4 | 0 | 4 | 5.1 | Cc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1039/C2MD20340E | ||
| 90666038 | 108820 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1ccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)cc1 | 10.1039/C2MD20340E | ||
| CHEMBL3218911 | 108820 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1ccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)cc1 | 10.1039/C2MD20340E | ||
| 44421230 | 84353 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 8 | 3 | 5 | 5.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 | 10.1021/jm070024h | ||
| CHEMBL223269 | 84353 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 8 | 3 | 5 | 5.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 | 10.1021/jm070024h | ||
| 156018460 | 177293 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 468 | 5 | 1 | 7 | 4.6 | CCOc1cc(Cl)c(-c2ncc(-c3nc4ccccc4s3)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4644587 | 177293 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 468 | 5 | 1 | 7 | 4.6 | CCOc1cc(Cl)c(-c2ncc(-c3nc4ccccc4s3)c(=O)[nH]2)cc1N1CCOCC1 | 10.1016/j.bmcl.2020.126953 | ||
| 145950963 | 162244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172411 | 162244 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 11618705 | 166374 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 423 | 6 | 1 | 4 | 5.3 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL428698 | 166374 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 423 | 6 | 1 | 4 | 5.3 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| 44436842 | 146393 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL392592 | 146393 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.6 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL509976 | 213794 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O | 10.1074/jbc.m609796200 | ||||
| CHEMBL450217 | 212203 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL450217 | 212203 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 10984270 | 98042 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 530 | 11 | 6 | 4 | 3.3 | CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL276137 | 98042 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 530 | 11 | 6 | 4 | 3.3 | CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 44436884 | 91107 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 11 | 5 | 7 | 3.1 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL240522 | 91107 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 11 | 5 | 7 | 3.1 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL444131 | 212171 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 | 10.1074/jbc.m609796200 | ||||
| 60195020 | 81179 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 835 | 21 | 10 | 8 | 1.8 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163465 | 81179 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 835 | 21 | 10 | 8 | 1.8 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 59446112 | 172395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 840 | 21 | 10 | 9 | 1.3 | C[C@H](NC(=O)N(CC1CCCCC1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4517723 | 172395 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 840 | 21 | 10 | 9 | 1.3 | C[C@H](NC(=O)N(CC1CCCCC1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL422461 | 211528 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/jm0001727 | ||||
| 16114010 | 135747 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 613 | 10 | 4 | 5 | 6.5 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm070024h | ||
| CHEMBL373392 | 135747 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 613 | 10 | 4 | 5 | 6.5 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm070024h | ||
| 16203349 | 165726 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 4.9 | COc1ccc(CCn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL427076 | 165726 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 4.9 | COc1ccc(CCn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 11531313 | 62160 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 394 | 7 | 1 | 6 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3[N+](=O)[O-])noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178137 | 62160 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 394 | 7 | 1 | 6 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3[N+](=O)[O-])noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44389283 | 62601 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 5.7 | CCN(C)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178494 | 62601 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 5.7 | CCN(C)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 122180019 | 121053 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586025 | 121053 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 513 | 8 | 2 | 9 | 3.9 | CCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL447282 | 212190 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | None | None | None | CCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O | 10.1021/jm8014519 | ||||
| 145958317 | 161751 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4164531 | 161751 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 3.0 | CN1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 16114008 | 84408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccccc1Cn1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL223532 | 84408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1ccccc1Cn1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 16112910 | 135841 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL373507 | 135841 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| 16112910 | 135841 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL373507 | 135841 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 44436882 | 145471 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 524 | 10 | 4 | 6 | 4.2 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1ccco1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL391859 | 145471 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 524 | 10 | 4 | 6 | 4.2 | O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1ccco1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 145949880 | 162229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4172217 | 162229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 390 | 6 | 3 | 3 | 2.3 | CN(C)CCNC(=O)[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 122180024 | 121058 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 530 | 7 | 2 | 9 | 3.4 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2C[C@@H]3CC[C@H](C2)O3)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586030 | 121058 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 530 | 7 | 2 | 9 | 3.4 | O=C(NC[C@H]1COc2ccccc2O1)c1cc(N2C[C@@H]3CC[C@H](C2)O3)cnc1NCc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2015.04.040 | ||
| 46882154 | 5769 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.9 | CCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079323 | 5769 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.9 | CCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 59446145 | 81173 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 793 | 19 | 11 | 8 | 0.8 | C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163444 | 81173 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 793 | 19 | 11 | 8 | 0.8 | C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 59446145 | 81173 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 793 | 19 | 11 | 8 | 0.8 | C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163444 | 81173 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 793 | 19 | 11 | 8 | 0.8 | C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 11699004 | 65856 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184429 | 65856 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 6.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2CCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 11537800 | 75201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 361 | 6 | 3 | 6 | 3.7 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204564 | 75201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 361 | 6 | 3 | 6 | 3.7 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(C)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 16203236 | 165698 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 10 | 3 | 6 | 4.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccs1 | 10.1021/jm070024h | ||
| CHEMBL426905 | 165698 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 10 | 3 | 6 | 4.8 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccs1 | 10.1021/jm070024h | ||
| 10207327 | 66721 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| CHEMBL18725 | 66721 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| 44445603 | 154429 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 572 | 11 | 2 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL401259 | 154429 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 572 | 11 | 2 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL502208 | 212369 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 16113583 | 161190 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 469 | 8 | 4 | 5 | 3.7 | Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL413856 | 161190 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 469 | 8 | 4 | 5 | 3.7 | Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 90665849 | 108775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 508 | 7 | 0 | 7 | 5.5 | COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3nc(-c4ccc(Cl)cc4)sc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218649 | 108775 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 508 | 7 | 0 | 7 | 5.5 | COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3nc(-c4ccc(Cl)cc4)sc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 70696688 | 75511 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 487 | 9 | 0 | 6 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048818 | 75511 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 487 | 9 | 0 | 6 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| 44436816 | 91359 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 12 | 4 | 6 | 3.9 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCN)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241242 | 91359 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 12 | 4 | 6 | 3.9 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCN)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 10984270 | 98042 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 530 | 11 | 6 | 4 | 3.3 | CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| CHEMBL276137 | 98042 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 530 | 11 | 6 | 4 | 3.3 | CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm020985q | ||
| 44301387 | 11144 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1179088 | 11144 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL59572 | 11144 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 11692087 | 62648 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL178610 | 62648 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 122178610 | 120820 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581043 | 120820 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16113695 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm701292s | ||
| CHEMBL374643 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm701292s | ||
| 16113695 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL374643 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 16113695 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL374643 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 16113695 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm0704550 | ||
| CHEMBL374643 | 136490 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm0704550 | ||
| 44436888 | 152510 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 565 | 11 | 3 | 6 | 5.0 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCOCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL397593 | 152510 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 565 | 11 | 3 | 6 | 5.0 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCOCC3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| 11692087 | 62648 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178610 | 62648 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 6 | 6.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44409809 | 74700 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 453 | 10 | 3 | 7 | 4.4 | CCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203578 | 74700 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 453 | 10 | 3 | 7 | 4.4 | CCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44409989 | 165262 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 11 | 3 | 7 | 4.8 | CCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL424860 | 165262 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 467 | 11 | 3 | 7 | 4.8 | CCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL105462 | 206716 | 34 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||||
| 90666018 | 108800 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 488 | 8 | 0 | 9 | 3.3 | COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| CHEMBL3218891 | 108800 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 488 | 8 | 0 | 9 | 3.3 | COCCN1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1 | 10.1039/C2MD20340E | ||
| 11612155 | 140465 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3csc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| CHEMBL382375 | 140465 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 451 | 8 | 3 | 7 | 5.4 | Nc1nc(N)c(-c2ccc(NCc3csc(Cl)c3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm0510934 | ||
| 118722878 | 115684 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 5 | 2 | 4 | 4.8 | CN1CCN([C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2Cl)CC1 | 10.1021/jm5003183 | ||
| CHEMBL3358451 | 115684 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 5 | 2 | 4 | 4.8 | CN1CCN([C@@H](C(=O)NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2Cl)CC1 | 10.1021/jm5003183 | ||
| 16114097 | 78732 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL2113321 | 78732 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 631 | 12 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1 | 10.1021/jm0704550 | ||
| 122182189 | 121481 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593814 | 121481 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 8 | 3 | 7 | 4.3 | COc1ccc(CNC(=O)c2cc(C#CC(C)(C)NC(C)=O)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 25260901 | 112968 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 5 | 2 | 9 | 3.6 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319405 | 112968 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 5 | 2 | 9 | 3.6 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCOCC5)ccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 122180021 | 121055 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 528 | 7 | 2 | 7 | 4.9 | O=C(NCC1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586027 | 121055 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 528 | 7 | 2 | 7 | 4.9 | O=C(NCC1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2 | 10.1016/j.bmcl.2015.04.040 | ||
| 11179347 | 76985 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.0 | CS(=O)(=O)c1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL208477 | 76985 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.0 | CS(=O)(=O)c1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 44445593 | 154237 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| CHEMBL400174 | 154237 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 552 | 11 | 3 | 7 | 4.6 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1 | 10.1021/jm701292s | ||
| 16203569 | 141189 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL385803 | 141189 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| 90666034 | 108816 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.7 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCOC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218907 | 108816 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.7 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCOC5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL449590 | 212202 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(N)=O | 10.1074/jbc.m609796200 | ||||
| 121879 | 2195 | 19 | None | - | 1 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| 5868 | 2195 | 19 | None | - | 1 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| CHEMBL308716 | 2195 | 19 | None | - | 1 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| 11568561 | 168976 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 7 | 1 | 5 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL443560 | 168976 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 7 | 1 | 5 | 6.1 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44338246 | 98385 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 563 | 11 | 1 | 6 | 5.2 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL278909 | 98385 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 563 | 11 | 1 | 6 | 5.2 | O=C1[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1CCCN1CCCCC1 | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL105462 | 206716 | 34 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/s0960-894x(99)00584-3 | ||||
| 44409767 | 156688 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 3 | 7 | 3.9 | CCc1nc(N)nc(NC2CC2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL407647 | 156688 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 3 | 7 | 3.9 | CCc1nc(N)nc(NC2CC2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44445612 | 96580 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 565 | 10 | 3 | 5 | 5.9 | O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm701292s | ||
| CHEMBL266964 | 96580 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 565 | 10 | 3 | 5 | 5.9 | O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 | 10.1021/jm701292s | ||
| 44410003 | 75813 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 10 | 4 | 8 | 3.5 | CC(C)CCNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205794 | 75813 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 10 | 4 | 8 | 3.5 | CC(C)CCNCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16203569 | 141189 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL385803 | 141189 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 12 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL18872 | 207304 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)C(C)(C)N)C(N)=O | 10.1021/jm300557t | ||||
| 46882106 | 5770 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 11 | 4 | 4 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCN)c2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079340 | 5770 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 418 | 11 | 4 | 4 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CCN)c2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 44436876 | 146474 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 580 | 11 | 4 | 7 | 4.6 | COc1ccc(N2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| CHEMBL392663 | 146474 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 580 | 11 | 4 | 7 | 4.6 | COc1ccc(N2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)=NNC2CCc2ccccc2)c(OC)c1 | 10.1021/jm0704550 | ||
| 121879 | 2195 | 19 | None | - | 1 | Pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| 5868 | 2195 | 19 | None | - | 1 | Pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| CHEMBL308716 | 2195 | 19 | None | - | 1 | Pig | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm0309452 | ||
| 156010733 | 176496 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633062 | 176496 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145962494 | 161513 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160705 | 161513 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 145950201 | 162380 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174476 | 162380 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44409832 | 76042 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 398 | 6 | 4 | 8 | 1.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205955 | 76042 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 398 | 6 | 4 | 8 | 1.8 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 16204237 | 84459 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 574 | 10 | 3 | 5 | 6.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm070024h | ||
| CHEMBL223638 | 84459 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 574 | 10 | 3 | 5 | 6.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm070024h | ||
| 16204343 | 136654 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 635 | 12 | 4 | 5 | 7.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CC(c1ccccc1)c1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL374918 | 136654 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 635 | 12 | 4 | 5 | 7.0 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CC(c1ccccc1)c1ccccc1 | 10.1021/jm070024h | ||
| 122178613 | 120823 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 625 | 12 | 2 | 7 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N3CCCC3)cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581046 | 120823 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 625 | 12 | 2 | 7 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(N3CCCC3)cn2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 57422749 | 112927 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 492 | 4 | 2 | 7 | 3.8 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319213 | 112927 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 492 | 4 | 2 | 7 | 3.8 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 44410007 | 76059 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 438 | 8 | 4 | 8 | 2.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL205963 | 76059 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 438 | 8 | 4 | 8 | 2.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CC3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 118718706 | 114867 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL3350011 | 114867 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 89768546 | 148473 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| CHEMBL3942511 | 148473 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 438 | 4 | 2 | 5 | 5.5 | Cc1nnc2sc(C(=O)NCc3ccc(S(F)(F)(F)(F)F)cc3)c(N)c2c1C | 10.1016/j.bmcl.2016.11.086 | ||
| 16114011 | 137597 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 563 | 10 | 4 | 5 | 5.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| CHEMBL376736 | 137597 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 563 | 10 | 4 | 5 | 5.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1 | 10.1021/jm070024h | ||
| 11349789 | 78348 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 389 | 7 | 3 | 6 | 3.4 | Nc1nc(N)c(-c2ccc(NC(=O)C3CC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL211265 | 78348 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 389 | 7 | 3 | 6 | 3.4 | Nc1nc(N)c(-c2ccc(NC(=O)C3CC3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| 16112909 | 143737 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 561 | 10 | 4 | 6 | 5.0 | COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL390503 | 143737 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 561 | 10 | 4 | 6 | 5.0 | COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 44378837 | 12896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 484 | 11 | 2 | 5 | 3.6 | NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1189851 | 12896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 484 | 11 | 2 | 5 | 3.6 | NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL539575 | 12896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 484 | 11 | 2 | 5 | 3.6 | NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 44445597 | 94067 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 540 | 10 | 2 | 5 | 6.1 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL251640 | 94067 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 540 | 10 | 2 | 5 | 6.1 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 11176805 | 76966 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 4.5 | CC(C)(C)CNc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL208374 | 76966 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 391 | 7 | 3 | 6 | 4.5 | CC(C)(C)CNc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm0510934 | ||
| 156010733 | 176496 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4633062 | 176496 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 0.2 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 46882153 | 5768 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 13 | 4 | 4 | 5.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NCC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1079322 | 5768 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 13 | 4 | 4 | 5.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NCC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 145950201 | 162380 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4174476 | 162380 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 46882239 | 5692 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 452 | 7 | 4 | 4 | 4.7 | Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)c1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078700 | 5692 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 452 | 7 | 4 | 4 | 4.7 | Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)c1 | 10.1016/j.bmcl.2009.08.076 | ||
| 1221269 | 121507 | 12 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL359530 | 121507 | 12 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44446177 | 94197 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252448 | 94197 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 5.5 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 16114289 | 98199 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL277376 | 98199 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 562 | 11 | 3 | 6 | 5.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 | 10.1021/jm0704550 | ||
| 11538533 | 74636 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL203280 | 74636 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm060461g | ||
| 10415364 | 126233 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL365294 | 126233 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 557 | 9 | 1 | 6 | 6.5 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCc2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL263544 | 208820 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0001727 | ||||
| 122180023 | 121057 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 7 | 2 | 8 | 3.8 | C[C@H]1CN(c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586029 | 121057 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 7 | 2 | 8 | 3.8 | C[C@H]1CN(c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 | 10.1016/j.bmcl.2015.04.040 | ||
| 118709507 | 112971 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 547 | 4 | 2 | 8 | 3.8 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5c(cc4Cl)CCN5C)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319408 | 112971 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 547 | 4 | 2 | 8 | 3.8 | CN1CCC(S(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5c(cc4Cl)CCN5C)sc3c2)CC1 | 10.1021/jm500610n | ||
| 90666011 | 108793 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 471 | 6 | 0 | 7 | 4.7 | COc1ccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)cc1 | 10.1039/C2MD20340E | ||
| CHEMBL3218884 | 108793 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 471 | 6 | 0 | 7 | 4.7 | COc1ccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)cc1 | 10.1039/C2MD20340E | ||
| 11538533 | 74636 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL203280 | 74636 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 44409998 | 137994 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 413 | 7 | 3 | 8 | 2.5 | COCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL377515 | 137994 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 413 | 7 | 3 | 8 | 2.5 | COCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 90666021 | 108803 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218894 | 108803 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 7 | 0 | 9 | 3.9 | COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(CC5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 11453509 | 75810 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 441 | 9 | 3 | 7 | 4.6 | COc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205784 | 75810 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 441 | 9 | 3 | 7 | 4.6 | COc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 44445610 | 161162 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL413608 | 161162 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 23648249 | 78737 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 557 | 9 | 4 | 5 | 5.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| CHEMBL2113326 | 78737 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 557 | 9 | 4 | 5 | 5.4 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)C1CCNCC1 | 10.1021/jm0704550 | ||
| 11178309 | 79476 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 445 | 8 | 3 | 7 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL212415 | 79476 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 445 | 8 | 3 | 7 | 4.3 | Nc1nc(N)c(-c2ccc(NC(=O)Cc3ccsc3)cc2)c(COCc2ccccc2)n1 | 10.1021/jm060461g | ||
| CHEMBL3578018 | 210012 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| CHEMBL3578018 | 210012 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 44445613 | 93740 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 2 | 5 | 5.4 | O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1 | 10.1021/jm701292s | ||
| CHEMBL249662 | 93740 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 2 | 5 | 5.4 | O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1 | 10.1021/jm701292s | ||
| 16204229 | 83886 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL221569 | 83886 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 545 | 10 | 4 | 5 | 5.2 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| 44409867 | 76373 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 8 | 3 | 7 | 5.0 | CCc1nc(N)nc(Nc2ccccc2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL206672 | 76373 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 8 | 3 | 7 | 5.0 | CCc1nc(N)nc(Nc2ccccc2)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 145962494 | 161513 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4160705 | 161513 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 4 | 2 | 5 | 2.4 | CN1CCCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44389215 | 62734 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178838 | 62734 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 5.4 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 11211892 | 79791 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 405 | 8 | 3 | 6 | 4.0 | CC(C)CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| CHEMBL213703 | 79791 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 405 | 8 | 3 | 6 | 4.0 | CC(C)CC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 | 10.1021/jm060461g | ||
| 122180015 | 121049 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 523 | 9 | 2 | 8 | 5.3 | CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586021 | 121049 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 523 | 9 | 2 | 8 | 5.3 | CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 59446138 | 81195 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL2163482 | 81195 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 59446138 | 81195 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163482 | 81195 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 884 | 21 | 10 | 9 | 2.1 | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 59446127 | 172457 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)N(CCc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4518972 | 172457 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)N(CCc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 60195286 | 81187 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)N(CCc1ccccc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163474 | 81187 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 848 | 22 | 10 | 9 | 1.0 | C[C@H](NC(=O)N(CCc1ccccc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 10207327 | 66721 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| CHEMBL18725 | 66721 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 10 | 6 | 4 | 2.5 | CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O | 10.1021/jm020985q | ||
| 16112911 | 84291 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 5.6 | COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| CHEMBL222835 | 84291 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 619 | 13 | 4 | 7 | 5.6 | COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1021/jm070024h | ||
| 5311280 | 81183 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1035 | 25 | 11 | 10 | 2.4 | Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](N)CC3)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163470 | 81183 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1035 | 25 | 11 | 10 | 2.4 | Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](N)CC3)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 44389243 | 64237 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 6.2 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1c(-c2c(Cl)cccc2Cl)noc1CCC1OCCCO1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL181619 | 64237 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 6.2 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1c(-c2c(Cl)cccc2Cl)noc1CCC1OCCCO1 | 10.1016/j.bmcl.2004.11.075 | ||
| 23648232 | 90798 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 11 | 3 | 5 | 4.5 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/jm0704550 | ||
| CHEMBL240179 | 90798 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 11 | 3 | 5 | 4.5 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/jm0704550 | ||
| 44445616 | 161309 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL414930 | 161309 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 118709471 | 112948 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 361 | 3 | 2 | 5 | 3.9 | COc1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319275 | 112948 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 361 | 3 | 2 | 5 | 3.9 | COc1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 44390889 | 64077 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 2.7 | CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(OC)c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL181313 | 64077 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 8 | 2 | 5 | 2.7 | CCN(CC)CCN1C(=O)[C@@](O)(c2cccc(OC)c2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 46882270 | 5725 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 452 | 7 | 4 | 4 | 4.7 | Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078960 | 5725 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 452 | 7 | 4 | 4 | 4.7 | Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 156016696 | 177046 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641201 | 177046 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL3578016 | 210010 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| CHEMBL2163348 | 207569 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||||
| CHEMBL2163348 | 207569 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||||
| 16113800 | 137274 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1cccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL375972 | 137274 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 536 | 11 | 3 | 6 | 4.7 | COc1cccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 | 10.1021/jm070024h | ||
| CHEMBL3578016 | 210010 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 156013130 | 176918 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639514 | 176918 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 156016696 | 177046 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4641201 | 177046 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 8 | 3 | 5 | 0.4 | Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 145950877 | 162433 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175360 | 162433 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44358041 | 160772 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1724 | 59 | 24 | 24 | -8.1 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C | 10.1021/jm0001727 | ||
| 91931457 | 160772 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1724 | 59 | 24 | 24 | -8.1 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C | 10.1021/jm0001727 | ||
| CHEMBL412565 | 160772 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1724 | 59 | 24 | 24 | -8.1 | CCCCCCCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C | 10.1021/jm0001727 | ||
| 57422810 | 177077 | 2 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 602 | 7 | 2 | 10 | 4.4 | CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)C4CCN(C)CC4)cc3s2)cc1-n1cccn1 | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4641579 | 177077 | 2 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 602 | 7 | 2 | 10 | 4.4 | CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(S(=O)(=O)C4CCN(C)CC4)cc3s2)cc1-n1cccn1 | 10.1016/j.bmcl.2020.126953 | ||
| 16113246 | 94226 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL252643 | 94226 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 11846624 | 77548 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 490 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(C1CCCC1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| CHEMBL209443 | 77548 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 490 | 6 | 2 | 8 | 4.3 | CCc1nc(N)nc(N)c1-c1ccc2c(c1)nc(C1CCCC1)n2Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm060461g | ||
| 46882272 | 5718 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 480 | 8 | 4 | 4 | 5.5 | CC(C)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078900 | 5718 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 480 | 8 | 4 | 4 | 5.5 | CC(C)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)N)cc3)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 9987037 | 11912 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183385 | 11912 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL294324 | 11912 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 12 | 2 | 7 | 2.5 | CCCCCCCC(=O)OC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 56942537 | 124667 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 12 | 2 | 6 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1 | nan | ||
| CHEMBL3645262 | 124667 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 12 | 2 | 6 | 6.3 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1 | nan | ||
| 57422761 | 112928 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 510 | 10 | 3 | 8 | 3.3 | COCCNCCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319214 | 112928 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 510 | 10 | 3 | 8 | 3.3 | COCCNCCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 57422760 | 112925 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 480 | 7 | 2 | 7 | 3.6 | CN(C)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| CHEMBL3319211 | 112925 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 480 | 7 | 2 | 7 | 3.6 | CN(C)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 | 10.1021/jm500610n | ||
| 57422791 | 112940 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 601 | 8 | 2 | 10 | 3.5 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cccc(-n5cccn5)c4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319226 | 112940 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 601 | 8 | 2 | 10 | 3.5 | CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cccc(-n5cccn5)c4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 44445619 | 154127 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 10 | 2 | 5 | 6.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL399650 | 154127 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 10 | 2 | 5 | 6.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 16113469 | 136964 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 559 | 11 | 4 | 5 | 5.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL375408 | 136964 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 559 | 11 | 4 | 5 | 5.4 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1ccccc1 | 10.1021/jm070024h | ||
| CHEMBL501253 | 212352 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COC(=O)CCCCCCCBr)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O | 10.1021/jm8014519 | ||||
| 122182045 | 121473 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCO5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593634 | 121473 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCO5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| 44446175 | 94533 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 13 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL254741 | 94533 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 13 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 10994861 | 66920 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 514 | 9 | 6 | 4 | 2.5 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 | 10.1021/jm020985q | ||
| CHEMBL18815 | 66920 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 514 | 9 | 6 | 4 | 2.5 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 | 10.1021/jm020985q | ||
| 10984260 | 167779 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 529 | 9 | 7 | 5 | 1.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCNCC1 | 10.1021/jm020985q | ||
| CHEMBL434391 | 167779 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 529 | 9 | 7 | 5 | 1.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCNCC1 | 10.1021/jm020985q | ||
| 59446135 | 81189 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 859 | 21 | 12 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | nan | ||
| CHEMBL2163476 | 81189 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 859 | 21 | 12 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | nan | ||
| 59446135 | 81189 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 859 | 21 | 12 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163476 | 81189 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 859 | 21 | 12 | 9 | 0.7 | NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O | 10.1021/jm300557t | ||
| 59446154 | 81176 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 858 | 19 | 10 | 8 | 2.0 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O | nan | ||
| CHEMBL2163453 | 81176 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 858 | 19 | 10 | 8 | 2.0 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O | nan | ||
| 59446154 | 81176 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 858 | 19 | 10 | 8 | 2.0 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163453 | 81176 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 858 | 19 | 10 | 8 | 2.0 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O | 10.1021/jm300557t | ||
| 44446178 | 154572 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL402023 | 154572 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 595 | 11 | 3 | 6 | 6.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 753168 | 122710 | 33 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 349 | 6 | 1 | 4 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL361366 | 122710 | 33 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 349 | 6 | 1 | 4 | 4.7 | CCN(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44338253 | 9182 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 11 | 1 | 6 | 4.4 | CN(C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S | 10.1016/j.bmcl.2003.11.012 | ||
| CHEMBL110900 | 9182 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 539 | 11 | 1 | 6 | 4.4 | CN(C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S | 10.1016/j.bmcl.2003.11.012 | ||
| 44301512 | 11902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 13 | 3 | 8 | 1.0 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL1183340 | 11902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 13 | 3 | 8 | 1.0 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| CHEMBL291333 | 11902 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 566 | 13 | 3 | 8 | 1.0 | CCCCCCCC(=O)OC[C@@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 | 10.1016/s0960-894x(01)00324-9 | ||
| 16113799 | 168137 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL436849 | 168137 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 605 | 12 | 4 | 7 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1 | 10.1016/j.bmcl.2007.10.113 | ||
| 11166495 | 75184 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 437 | 8 | 2 | 7 | 4.5 | N#Cc1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL204474 | 75184 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 437 | 8 | 2 | 7 | 4.5 | N#Cc1ccc(COc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1 | 10.1021/jm0510934 | ||
| 25262772 | 112953 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 6 | 2 | 8 | 2.9 | CN1CCN(CCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| CHEMBL3319281 | 112953 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 6 | 2 | 8 | 2.9 | CN1CCN(CCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 | 10.1021/jm500610n | ||
| 44390869 | 121815 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(Cl)cc2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| CHEMBL359922 | 121815 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 469 | 7 | 2 | 4 | 3.4 | CCN(CC)CCN1C(=O)[C@@](O)(c2ccc(Cl)cc2)c2c1cc(C(N)=O)cc2C(F)(F)F | 10.1016/j.bmcl.2005.02.042 | ||
| 156013130 | 176918 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| CHEMBL4639514 | 176918 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 3 | 6 | 0.7 | Cc1ccc2[nH]c(C(=O)N[C@H]3CN(S(=O)(=O)C4CCOCC4)C[C@@H]3C(=O)NCCN(C)C)cc2c1 | 10.1021/acs.jmedchem.0c00828 | ||
| 122180014 | 121048 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 9 | 2 | 8 | 5.8 | CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586020 | 121048 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 9 | 2 | 8 | 5.8 | CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 122178601 | 120810 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| CHEMBL3581034 | 120810 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 634 | 11 | 2 | 6 | 6.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1 | 10.1016/j.bmcl.2014.11.031 | ||
| 16202767 | 84558 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 4.8 | Cc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| CHEMBL223810 | 84558 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 4.8 | Cc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1021/jm070024h | ||
| 46882156 | 5618 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 404 | 7 | 4 | 4 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078115 | 5618 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 404 | 7 | 4 | 4 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| 16113474 | 136097 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 455 | 8 | 4 | 5 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nncn1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| CHEMBL373993 | 136097 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 455 | 8 | 4 | 5 | 3.6 | CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nncn1CCc1c[nH]c2ccccc12 | 10.1021/jm070024h | ||
| 59446105 | 172242 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| CHEMBL4514053 | 172242 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | nan | ||
| 11556936 | 81185 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163472 | 81185 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 850 | 21 | 11 | 10 | 0.7 | C[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)C(N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm300557t | ||
| 60195114 | 81182 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 640 | 13 | 8 | 6 | 1.8 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm300557t | ||
| CHEMBL2163468 | 81182 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 640 | 13 | 8 | 6 | 1.8 | CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1021/jm300557t | ||
| 70690449 | 75503 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 9 | 0 | 5 | 4.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048810 | 75503 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 9 | 0 | 5 | 4.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 70692603 | 75509 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 463 | 7 | 0 | 5 | 5.0 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4nc5ccccc5s4)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048816 | 75509 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 463 | 7 | 0 | 5 | 5.0 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4nc5ccccc5s4)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 44389192 | 168070 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 471 | 4 | 1 | 4 | 6.2 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL436275 | 168070 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 471 | 4 | 1 | 4 | 6.2 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44394982 | 65792 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 523 | 9 | 1 | 6 | 5.7 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL184093 | 65792 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 523 | 9 | 1 | 6 | 5.7 | CCN(CC)[C@H]1CC[C@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)CC1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL526723 | 213911 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/jm8014519 | ||||
| CHEMBL335799 | 209808 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm0001727 | ||||
| CHEMBL61663 | 214052 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1016/s0960-894x(01)00324-9 | ||||
| 44445628 | 161338 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 10 | 2 | 6 | 5.5 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL415135 | 161338 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 10 | 2 | 6 | 5.5 | CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 145950877 | 162433 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4175360 | 162433 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 4 | 4 | 5 | 2.6 | Nc1ccncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1nc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 11663710 | 123935 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 9 | 1 | 5 | 6.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| CHEMBL363995 | 123935 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 528 | 9 | 1 | 5 | 6.3 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)cc1 | 10.1016/j.bmcl.2004.06.060 | ||
| 16113371 | 78728 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| CHEMBL2113318 | 78728 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1016/j.bmcl.2007.10.113 | ||
| 16113371 | 78728 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113318 | 78728 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 587 | 11 | 4 | 6 | 5.2 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 | 10.1021/jm0704550 | ||
| 11713497 | 122708 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 531 | 9 | 1 | 6 | 6.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL361349 | 122708 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 531 | 9 | 1 | 6 | 6.8 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)c(C)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 122182045 | 121473 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCO5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593634 | 121473 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 4.6 | CC(=O)N1C[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCO5)c(C(=O)NCCOc4ccccc4)c3)C[C@H]1CC2 | 10.1016/j.bmc.2015.05.047 | ||
| 11646276 | 75566 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL205136 | 75566 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 364 | 6 | 3 | 7 | 3.4 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm0510934 | ||
| 122182046 | 121474 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 586 | 8 | 2 | 6 | 5.6 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593635 | 121474 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 586 | 8 | 2 | 6 | 5.6 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCC3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 44436828 | 91554 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 550 | 11 | 4 | 6 | 4.3 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL241664 | 91554 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 550 | 11 | 4 | 6 | 4.3 | COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL410108 | 211042 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C | 10.1021/jm0001727 | ||||
| 11538533 | 74636 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL203280 | 74636 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm020985q | ||||
| 11538534 | 74649 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| CHEMBL203373 | 74649 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 397 | 6 | 3 | 7 | 2.9 | CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2)cc1 | 10.1021/jm0510934 | ||
| 122182047 | 121475 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| CHEMBL3593636 | 121475 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 7 | 5.4 | COc1ccc(CNC(=O)c2cc(C3=C[C@@H]4CC[C@H](C3)N(C(C)=O)C4)cnc2NCc2ccc3c(c2)OCO3)cc1Cl | 10.1016/j.bmc.2015.05.047 | ||
| 70686293 | 75515 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 5 | 0 | 7 | 3.8 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-c5ncccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048822 | 75515 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 5 | 0 | 7 | 3.8 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-c5ncccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 122180016 | 121050 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 540 | 9 | 2 | 9 | 5.1 | CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| CHEMBL3586022 | 121050 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 540 | 9 | 2 | 9 | 5.1 | CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1 | 10.1016/j.bmcl.2015.04.040 | ||
| 44389216 | 123323 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 442 | 6 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C#N)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL362595 | 123323 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 442 | 6 | 1 | 5 | 5.9 | CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(C#N)c1 | 10.1016/j.bmcl.2004.11.075 | ||
| 44389248 | 121641 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 433 | 7 | 2 | 5 | 5.0 | CCN(CCO)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL359714 | 121641 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 433 | 7 | 2 | 5 | 5.0 | CCN(CCO)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 | 10.1016/j.bmcl.2004.11.075 | ||
| 145958774 | 161704 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4163811 | 161704 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 6 | 3 | 3 | 2.9 | Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCN(C)C)cc2c1 | 10.1021/acs.jmedchem.8b00322 | ||
| 44445609 | 96579 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 579 | 10 | 3 | 5 | 6.4 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| CHEMBL266961 | 96579 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 579 | 10 | 3 | 5 | 6.4 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 | 10.1021/jm701292s | ||
| 16114532 | 84258 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccccc1Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| CHEMBL222610 | 84258 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 575 | 11 | 4 | 6 | 5.2 | COc1ccccc1Cn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N | 10.1021/jm070024h | ||
| 23648250 | 78738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 10 | 4 | 5 | 6.0 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| CHEMBL2113327 | 78738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 585 | 10 | 4 | 5 | 6.0 | CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 | 10.1021/jm0704550 | ||
| 44409764 | 76781 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| CHEMBL207792 | 76781 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 9 | 4 | 8 | 3.6 | CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNCc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.01.012 | ||
| 44378979 | 12720 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 506 | 9 | 2 | 5 | 4.6 | NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL1188586 | 12720 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 506 | 9 | 2 | 5 | 4.6 | NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| CHEMBL536779 | 12720 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 506 | 9 | 2 | 5 | 4.6 | NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O | 10.1016/s0960-894x(99)00584-3 | ||
| 11197 | 1046 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 7 | 2 | 9 | 3.9 | CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C | 10.1016/j.bmcl.2020.126953 | ||
| 154699458 | 1046 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 7 | 2 | 9 | 3.9 | CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL4632411 | 1046 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 572 | 7 | 2 | 9 | 3.9 | CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C | 10.1016/j.bmcl.2020.126953 | ||
| CHEMBL498956 | 212307 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C | 10.1021/jm8014519 | ||||
| 46882198 | 5668 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 460 | 12 | 4 | 4 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL1078497 | 5668 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 460 | 12 | 4 | 4 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | ||
| CHEMBL3578017 | 210011 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| CHEMBL3578017 | 210011 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | ||||
| 145953855 | 161953 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| CHEMBL4167669 | 161953 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 426 | 6 | 3 | 3 | 2.9 | CN(C)CCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2cc(F)c(F)cc2[nH]1 | 10.1021/acs.jmedchem.8b00322 | ||
| 90666035 | 108817 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 437 | 6 | 0 | 8 | 2.8 | COc1cccc(-n2cc3nc(C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| CHEMBL3218908 | 108817 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 437 | 6 | 0 | 8 | 2.8 | COc1cccc(-n2cc3nc(C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 | 10.1039/C2MD20340E | ||
| 328912 | 62232 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 505 | 5 | 1 | 4 | 7.0 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1CC1c2ccccc2CCN1C | 10.1016/j.bmcl.2004.11.075 | ||
| CHEMBL178266 | 62232 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 505 | 5 | 1 | 4 | 7.0 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1CC1c2ccccc2CCN1C | 10.1016/j.bmcl.2004.11.075 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm970342o | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm970342o | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.9 | pKd | = | 9.9 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm970342o | ||
| 57398340 | 70917 | 0 | None | - | 1 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 449 | 5 | 0 | 8 | 4.6 | Cc1nc2ccc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956993 | 70917 | 0 | None | - | 1 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 449 | 5 | 0 | 8 | 4.6 | Cc1nc2ccc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57400002 | 70918 | 0 | None | - | 1 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 4.9 | Cc1nc2ccc(Oc3ccc(Br)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956994 | 70918 | 0 | None | - | 1 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 4.9 | Cc1nc2ccc(Oc3ccc(Br)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57394881 | 70934 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 489 | 5 | 0 | 7 | 4.3 | Cc1nc2ncc(Oc3ccc(Br)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957010 | 70934 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 489 | 5 | 0 | 7 | 4.3 | Cc1nc2ncc(Oc3ccc(Br)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57393073 | 70925 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 449 | 5 | 0 | 8 | 4.6 | Cc1nc2cnc(Oc3ccc4ncsc4c3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957001 | 70925 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 449 | 5 | 0 | 8 | 4.6 | Cc1nc2cnc(Oc3ccc4ncsc4c3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 56926461 | 68679 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923609 | 68679 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926462 | 68680 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923610 | 68680 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 56926680 | 68693 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923623 | 68693 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 56926682 | 68695 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923625 | 68695 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 11664206 | 68696 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923626 | 68696 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 56926893 | 68706 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | nan | ||
| CHEMBL1923637 | 68706 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | nan | ||
| 11526745 | 68711 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923642 | 68711 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134137202 | 142282 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 5 | 3 | 6 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3893048 | 142282 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 552 | 5 | 3 | 6 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134137257 | 142593 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 540 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3895776 | 142593 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 540 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134133352 | 142961 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3898794 | 142961 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 11527086 | 143506 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.4 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3903118 | 143506 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.4 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 11512561 | 143824 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.4 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3905791 | 143824 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.4 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134133037 | 144022 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3907497 | 144022 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134132670 | 144069 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3907891 | 144069 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134132152 | 144387 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3910300 | 144387 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 572 | 4 | 3 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134142839 | 144841 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 520 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3913855 | 144841 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 520 | 4 | 3 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134142553 | 144902 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3914259 | 144902 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134143635 | 145029 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3915269 | 145029 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134143096 | 145388 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3918009 | 145388 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 584 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134142204 | 145392 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3918046 | 145392 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 11584702 | 145646 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 540 | 3 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3920049 | 145646 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 540 | 3 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134139279 | 145902 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 594 | 4 | 4 | 5 | 4.1 | CCC(C)[C@H]1NCCOc2ccccc2[C@H]2C[C@@H]2CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3922056 | 145902 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 594 | 4 | 4 | 5 | 4.1 | CCC(C)[C@H]1NCCOc2ccccc2[C@H]2C[C@@H]2CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134138445 | 146832 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 522 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3929593 | 146832 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 522 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134138218 | 147465 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3934367 | 147465 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134148686 | 147627 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3935670 | 147627 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134149719 | 148143 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 522 | 2 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C(C)(C)C)C(=O)N1C | nan | ||
| CHEMBL3939872 | 148143 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 522 | 2 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C(C)(C)C)C(=O)N1C | nan | ||
| 134145791 | 148242 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3940705 | 148242 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 3 | 3 | 5 | 2.8 | C[C@@H]1C(=O)N[C@H](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134143746 | 150055 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 578 | 2 | 4 | 5 | 3.9 | O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1cccc(Cl)c1 | nan | ||
| CHEMBL3955179 | 150055 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 578 | 2 | 4 | 5 | 3.9 | O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1cccc(Cl)c1 | nan | ||
| 134145221 | 150087 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CCC(C)C1NC[C@H](C)Oc2ccccc2CCCNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3955437 | 150087 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CCC(C)C1NC[C@H](C)Oc2ccccc2CCCNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134155656 | 150650 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3959816 | 150650 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134155282 | 150798 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 506 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3961108 | 150798 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 506 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134153496 | 151741 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.4 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3969367 | 151741 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.4 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134153654 | 152222 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 632 | 3 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3973513 | 152222 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 632 | 3 | 3 | 5 | 2.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134157569 | 153490 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 560 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3984338 | 153490 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 560 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 57345600 | 70914 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 4.9 | Cc1nc2ncc(Oc3ccc(Br)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956990 | 70914 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 4.9 | Cc1nc2ncc(Oc3ccc(Br)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57345599 | 70915 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 444 | 5 | 0 | 6 | 4.8 | Cc1nc2ccc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956991 | 70915 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 444 | 5 | 0 | 6 | 4.8 | Cc1nc2ccc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57398341 | 70923 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 444 | 5 | 0 | 6 | 4.8 | Cc1nc2cnc(Oc3ccc(Cl)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956999 | 70923 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 444 | 5 | 0 | 6 | 4.8 | Cc1nc2cnc(Oc3ccc(Cl)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm960054c | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm960054c | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10.1021/jm960054c | ||
| 57398342 | 70931 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 450 | 5 | 0 | 9 | 4.0 | Cc1nc2ncc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957007 | 70931 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 450 | 5 | 0 | 9 | 4.0 | Cc1nc2ncc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57401803 | 70933 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 5.1 | Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957009 | 70933 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 469 | 6 | 0 | 7 | 5.1 | Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57401799 | 70924 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 436 | 5 | 0 | 8 | 3.7 | Cc1nc2cnc(Oc3ccc4c(c3)OCO4)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957000 | 70924 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 436 | 5 | 0 | 8 | 3.7 | Cc1nc2cnc(Oc3ccc4c(c3)OCO4)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57399248 | 68687 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923617 | 68687 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 44340008 | 112876 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 583 | 9 | 2 | 6 | 3.2 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(C(C)(C)C)C(=O)C2(Cc2ccccc2)C1 | 10.1016/s0960-894x(02)00734-5 | ||
| CHEMBL331801 | 112876 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 583 | 9 | 2 | 6 | 3.2 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(C(C)(C)C)C(=O)C2(Cc2ccccc2)C1 | 10.1016/s0960-894x(02)00734-5 | ||
| 57399248 | 68687 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923617 | 68687 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 556 | 4 | 3 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 24970113 | 68699 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 3 | 3 | 5 | 3.8 | C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923629 | 68699 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 3 | 3 | 5 | 3.8 | C[C@@H]1CN[C@@H](C2CCCCC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 57391293 | 70921 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.7 | Cc1nc2ccc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956997 | 70921 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.7 | Cc1nc2ccc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 162659411 | 180633 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 575 | 13 | 3 | 7 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4761419 | 180633 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 575 | 13 | 3 | 7 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CC#N)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44340268 | 110019 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 609 | 10 | 2 | 6 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 | 10.1016/s0960-894x(02)00734-5 | ||
| CHEMBL325062 | 110019 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 609 | 10 | 2 | 6 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 | 10.1016/s0960-894x(02)00734-5 | ||
| 57401800 | 70927 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 446 | 5 | 0 | 8 | 3.9 | Cc1nc2cnc(Oc3ccc4c(c3)ncn4C)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957003 | 70927 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 446 | 5 | 0 | 8 | 3.9 | Cc1nc2cnc(Oc3ccc4c(c3)ncn4C)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 162657606 | 180525 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 693 | 15 | 3 | 8 | 5.7 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4760409 | 180525 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 693 | 15 | 3 | 8 | 5.7 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 57401801 | 70929 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 445 | 5 | 0 | 7 | 4.2 | Cc1nc2ncc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957005 | 70929 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 445 | 5 | 0 | 7 | 4.2 | Cc1nc2ncc(Oc3ccc(Cl)cc3F)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 162672839 | 182430 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 681 | 14 | 3 | 7 | 5.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4793824 | 182430 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 681 | 14 | 3 | 7 | 5.9 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL500468 | 212334 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm300414b | ||||
| 56942242 | 124662 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645257 | 124662 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 566 | 12 | 4 | 7 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56925343 | 68709 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 550 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923640 | 68709 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 550 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 57398339 | 70916 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 436 | 5 | 0 | 8 | 3.7 | Cc1nc2ccc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956992 | 70916 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 436 | 5 | 0 | 8 | 3.7 | Cc1nc2ccc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 162645413 | 179136 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 677 | 14 | 3 | 7 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4744051 | 179136 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 677 | 14 | 3 | 7 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 155540883 | 172378 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4517399 | 172378 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 4548 | 115 | 75 | 66 | -23.9 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC1=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 16133832 | 211573 | 15 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/acs.jmedchem.8b01644 | ||||
| CHEMBL425281 | 211573 | 15 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C | 10.1021/acs.jmedchem.8b01644 | ||||
| 162653781 | 179890 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 732 | 15 | 4 | 8 | 6.2 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3c[nH]c4ccccc34)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4753046 | 179890 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 732 | 15 | 4 | 8 | 6.2 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3c[nH]c4ccccc34)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 57401802 | 70930 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 5 | 0 | 9 | 3.1 | Cc1nc2ncc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957006 | 70930 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 437 | 5 | 0 | 9 | 3.1 | Cc1nc2ncc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57401797 | 70910 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.7 | Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956987 | 70910 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 468 | 6 | 0 | 6 | 5.7 | Cc1nc2ncc(Oc3ccc(-c4ccccc4)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57398343 | 70932 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 5 | 0 | 8 | 4.1 | Cc1nc2ncc(Oc3ccc(F)c4cccnc34)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957008 | 70932 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 462 | 5 | 0 | 8 | 4.1 | Cc1nc2ncc(Oc3ccc(F)c4cccnc34)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 56926175 | 68656 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL1923504 | 68656 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 56926360 | 68678 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923608 | 68678 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926582 | 68686 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923616 | 68686 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926681 | 68694 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2cccc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923624 | 68694 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2cccc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 56926891 | 68704 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923635 | 68704 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926892 | 68705 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923636 | 68705 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926894 | 68707 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| CHEMBL1923638 | 68707 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | nan | ||
| 56925345 | 68712 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL1923643 | 68712 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134130631 | 141829 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 576 | 5 | 4 | 6 | 3.4 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC(=O)[C@H](CC(C)C)NCCOc3ccccc3/C=C\CNC2=O)cc1 | nan | ||
| CHEMBL3889512 | 141829 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 576 | 5 | 4 | 6 | 3.4 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)NC(=O)[C@H](CC(C)C)NCCOc3ccccc3/C=C\CNC2=O)cc1 | nan | ||
| 134131442 | 141852 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3889678 | 141852 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134131183 | 141924 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3890296 | 141924 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134136433 | 141963 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 576 | 5 | 4 | 6 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3890602 | 141963 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 576 | 5 | 4 | 6 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(OC)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134137008 | 141999 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 564 | 4 | 4 | 5 | 3.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3890889 | 141999 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 564 | 4 | 4 | 5 | 3.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134137012 | 142058 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 512 | 3 | 3 | 6 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccsc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3891381 | 142058 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 512 | 3 | 3 | 6 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccsc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134137398 | 142332 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 594 | 4 | 4 | 4 | 4.9 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3893476 | 142332 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 594 | 4 | 4 | 4 | 4.9 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134136665 | 142355 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 630 | 4 | 5 | 6 | 3.9 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc(O)cc1 | nan | ||
| CHEMBL3893697 | 142355 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 630 | 4 | 5 | 6 | 3.9 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc(O)cc1 | nan | ||
| 134133488 | 142692 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 600 | 4 | 4 | 5 | 4.1 | CC[C@H](C)[C@@H]1NCCOc2ccc(F)cc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3896536 | 142692 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 600 | 4 | 4 | 5 | 4.1 | CC[C@H](C)[C@@H]1NCCOc2ccc(F)cc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134134248 | 142807 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 598 | 5 | 3 | 5 | 4.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3897510 | 142807 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 598 | 5 | 3 | 5 | 4.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134134556 | 142808 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 3 | 4 | 5 | 2.7 | CC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3897527 | 142808 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 3 | 4 | 5 | 2.7 | CC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134133518 | 142909 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 552 | 2 | 4 | 5 | 3.4 | CC1(C)NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| CHEMBL3898348 | 142909 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 552 | 2 | 4 | 5 | 3.4 | CC1(C)NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| 134134286 | 143150 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 598 | 5 | 3 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3900284 | 143150 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 598 | 5 | 3 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134135296 | 143467 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 532 | 3 | 4 | 5 | 3.0 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3902856 | 143467 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 532 | 3 | 4 | 5 | 3.0 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134132958 | 144116 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 3 | 3 | 5 | 2.4 | C[C@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCN[C@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3908264 | 144116 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 3 | 3 | 5 | 2.4 | C[C@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCN[C@H](C2CC2)C(=O)N1C | nan | ||
| 134132137 | 144268 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 4 | 3 | 4 | 3.5 | CCC(C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2ccc(F)cc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3909431 | 144268 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 4 | 3 | 4 | 3.5 | CCC(C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2ccc(F)cc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134132893 | 144318 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 4 | 4 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3909834 | 144318 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 4 | 4 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 24969783 | 144319 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccc(F)cc2O1 | nan | ||
| CHEMBL3909838 | 144319 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccc(F)cc2O1 | nan | ||
| 130334810 | 144615 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 534 | 4 | 2 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@@H](C2=O)N(C)C1=O | nan | ||
| CHEMBL3912211 | 144615 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 534 | 4 | 2 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@@H](C2=O)N(C)C1=O | nan | ||
| 134132394 | 144639 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3912375 | 144639 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134142218 | 144742 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 564 | 4 | 4 | 5 | 3.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3913052 | 144742 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 564 | 4 | 4 | 5 | 3.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134142433 | 144781 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 534 | 3 | 4 | 6 | 1.8 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| CHEMBL3913335 | 144781 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 534 | 3 | 4 | 6 | 1.8 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| 59778970 | 144830 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 4 | 3 | 6 | 1.8 | COC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3913763 | 144830 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 4 | 3 | 6 | 1.8 | COC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134143366 | 145215 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 4 | 4 | 4 | 4.6 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3916659 | 145215 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 4 | 4 | 4 | 4.6 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 117812386 | 145313 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 522 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3917385 | 145313 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 522 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134139489 | 145517 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2cc(F)cc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3919021 | 145517 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2cc(F)cc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134140270 | 145828 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 4 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3921499 | 145828 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 4 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134140007 | 145859 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3921750 | 145859 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134139286 | 146009 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3922810 | 146009 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134139113 | 146108 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC)N(C)C1=O | nan | ||
| CHEMBL3923633 | 146108 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC)N(C)C1=O | nan | ||
| 134141159 | 146184 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3924192 | 146184 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134140968 | 146245 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 3 | 3 | 5 | 2.4 | CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCNC(C2CC2)C(=O)N1C | nan | ||
| CHEMBL3924635 | 146245 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 3 | 3 | 5 | 2.4 | CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NC[C@H]2C[C@@H]2c2ccccc2OCCNC(C2CC2)C(=O)N1C | nan | ||
| 134141782 | 146449 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 4 | 4 | 4 | 4.6 | CCC(C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3926434 | 146449 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 4 | 4 | 4 | 4.6 | CCC(C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134141886 | 146573 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3927481 | 146573 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134138234 | 146868 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 532 | 3 | 3 | 5 | 2.4 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccc3c(c2)OC(CC3)CN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3929852 | 146868 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 532 | 3 | 3 | 5 | 2.4 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccc3c(c2)OC(CC3)CN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 117812380 | 147207 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 617 | 5 | 4 | 7 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(NS(C)(=O)=O)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3932408 | 147207 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 617 | 5 | 4 | 7 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(NS(C)(=O)=O)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134138595 | 147210 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 544 | 2 | 4 | 5 | 3.3 | O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1 | nan | ||
| CHEMBL3932434 | 147210 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 544 | 2 | 4 | 5 | 3.3 | O=C1NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1 | nan | ||
| 134138824 | 147470 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 525 | 3 | 3 | 6 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3934402 | 147470 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 525 | 3 | 3 | 6 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134148504 | 147810 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 4 | 3 | 4 | 3.4 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3937200 | 147810 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 4 | 3 | 4 | 3.4 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134149092 | 147909 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 4 | 4 | 5 | 2.5 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| CHEMBL3937924 | 147909 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 4 | 4 | 5 | 2.5 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| 134149306 | 147930 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 3 | 3 | 5 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC#Cc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3938104 | 147930 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 3 | 3 | 5 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC#Cc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134149407 | 147976 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 571 | 4 | 4 | 6 | 3.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3938452 | 147976 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 571 | 4 | 4 | 6 | 3.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(C#N)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134148639 | 147999 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 583 | 4 | 5 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCNC2)NC1=O | nan | ||
| CHEMBL3938683 | 147999 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 583 | 4 | 5 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCNC2)NC1=O | nan | ||
| 134146570 | 148236 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3940653 | 148236 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 548 | 4 | 4 | 5 | 3.3 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145552 | 148475 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(CC)C1=O | nan | ||
| CHEMBL3942528 | 148475 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(CC)C1=O | nan | ||
| 134145564 | 148546 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3943086 | 148546 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 72574018 | 148560 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CCC(C)C1NCC(C)Oc2ccccc2CCCNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3943159 | 148560 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CCC(C)C1NCC(C)Oc2ccccc2CCCNC(=O)C(Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134146319 | 148582 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CC(C)CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3943294 | 148582 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CC(C)CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134147809 | 148905 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3946007 | 148905 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134147441 | 148945 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 2 | 4 | 5 | 3.0 | C[C@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| CHEMBL3946348 | 148945 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 538 | 2 | 4 | 5 | 3.0 | C[C@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| 134146888 | 149219 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 624 | 4 | 4 | 5 | 4.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3948268 | 149219 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 624 | 4 | 4 | 5 | 4.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134147381 | 149241 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3948472 | 149241 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 546 | 4 | 4 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134147802 | 149547 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3950904 | 149547 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145064 | 149605 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 552 | 2 | 4 | 5 | 3.4 | CC1(C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3951476 | 149605 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 552 | 2 | 4 | 5 | 3.4 | CC1(C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134144205 | 149729 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3952596 | 149729 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134144429 | 149741 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3952699 | 149741 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134144211 | 149786 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 4 | 4 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2C#CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3953033 | 149786 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 4 | 4 | 5 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2C#CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134144606 | 149790 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3953053 | 149790 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134155024 | 150468 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.6 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3958451 | 150468 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.6 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134155239 | 150470 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 564 | 3 | 4 | 5 | 3.4 | O=C1NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL3958460 | 150470 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 564 | 3 | 4 | 5 | 3.4 | O=C1NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccc(Cl)cc1 | nan | ||
| 134155132 | 150548 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 502 | 4 | 3 | 5 | 2.9 | CC[C@H](C)[C@]1(C)NCCOc2ccccc2CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3959108 | 150548 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 502 | 4 | 3 | 5 | 2.9 | CC[C@H](C)[C@]1(C)NCCOc2ccccc2CCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134155178 | 150835 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 525 | 3 | 3 | 6 | 1.6 | CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCNC(C2CC2)C(=O)N1C | nan | ||
| CHEMBL3961456 | 150835 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 525 | 3 | 3 | 6 | 1.6 | CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NCCCc2ncccc2OCCNC(C2CC2)C(=O)N1C | nan | ||
| 134150646 | 151102 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 5 | 3 | 6 | 2.6 | CSCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3963865 | 151102 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 5 | 3 | 6 | 2.6 | CSCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134150029 | 151571 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3967783 | 151571 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 518 | 4 | 3 | 4 | 3.3 | CC[C@H](C)C1NCCCc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134150729 | 151612 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 494 | 3 | 3 | 5 | 2.1 | CC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3968175 | 151612 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 494 | 3 | 3 | 5 | 2.1 | CC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134154254 | 151755 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 4 | 3 | 4 | 3.5 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3969506 | 151755 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 536 | 4 | 3 | 4 | 3.5 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134154486 | 151898 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 552 | 2 | 3 | 5 | 3.3 | C[C@@H]1C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)N1C | nan | ||
| CHEMBL3970827 | 151898 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 552 | 2 | 3 | 5 | 3.3 | C[C@@H]1C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)N1C | nan | ||
| 134154392 | 151988 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 532 | 4 | 4 | 5 | 3.1 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3971540 | 151988 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 532 | 4 | 4 | 5 | 3.1 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134153247 | 152176 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 6 | 2.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| CHEMBL3973085 | 152176 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 6 | 2.9 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| 134153772 | 152354 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 528 | 4 | 3 | 6 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccs2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3974701 | 152354 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 528 | 4 | 3 | 6 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccs2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 52911621 | 152515 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 531 | 3 | 3 | 6 | 1.9 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3975975 | 152515 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 531 | 3 | 3 | 6 | 1.9 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134151758 | 152558 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 3 | 3 | 5 | 2.9 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(Cl)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3976294 | 152558 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 558 | 3 | 3 | 5 | 2.9 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(Cl)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134152984 | 152622 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 6 | 2.9 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| CHEMBL3976853 | 152622 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 6 | 2.9 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccc(Cl)cc2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| 134151899 | 152773 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3978207 | 152773 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 134152339 | 152913 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 545 | 3 | 4 | 5 | 2.6 | C[C@@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3979468 | 152913 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 545 | 3 | 4 | 5 | 2.6 | C[C@@H]1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134152133 | 152977 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 3 | 4 | 6 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(O)c(C(C)(C)C)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3979911 | 152977 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 578 | 3 | 4 | 6 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(O)c(C(C)(C)C)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134157813 | 153126 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 524 | 4 | 3 | 6 | 1.7 | COC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3981238 | 153126 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 524 | 4 | 3 | 6 | 1.7 | COC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134156963 | 153312 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3982825 | 153312 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.5 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 57528321 | 153411 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 2 | 2 | 5 | 2.6 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN2CCCC[C@H]2C(=O)N1C | nan | ||
| CHEMBL3983626 | 153411 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 520 | 2 | 2 | 5 | 2.6 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN2CCCC[C@H]2C(=O)N1C | nan | ||
| 134156579 | 153508 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3984464 | 153508 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134156405 | 153716 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 620 | 4 | 4 | 6 | 4.3 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccsc1 | nan | ||
| CHEMBL3986375 | 153716 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 620 | 4 | 4 | 6 | 4.3 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccsc1 | nan | ||
| 134156453 | 153754 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccncc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3986628 | 153754 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 523 | 4 | 3 | 6 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccncc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56942098 | 124660 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645255 | 124660 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162646324 | 179146 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 688 | 17 | 3 | 9 | 4.8 | CCN(CC)CCc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4744139 | 179146 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 688 | 17 | 3 | 9 | 4.8 | CCN(CC)CCc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162665018 | 181543 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 4.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(C)=O)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4782214 | 181543 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 550 | 12 | 3 | 6 | 4.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(C)=O)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 58438451 | 91839 | 0 | None | 2089 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 442 | 4 | 0 | 6 | 3.1 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426689 | 91839 | 0 | None | 2089 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 442 | 4 | 0 | 6 | 3.1 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 90644553 | 111230 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 5 | 1 | 7 | 4.0 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ccc(C(N)=O)nc6)ccc53)C4)nc2s1 | 10.1021/ml400473x | ||
| CHEMBL3287214 | 111230 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 540 | 5 | 1 | 7 | 4.0 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ccc(C(N)=O)nc6)ccc53)C4)nc2s1 | 10.1021/ml400473x | ||
| 56926177 | 68658 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL1923506 | 68658 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 56926268 | 68660 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 542 | 4 | 3 | 5 | 2.5 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](Cc2ccccc2)C1=O | nan | ||
| CHEMBL1923510 | 68660 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 542 | 4 | 3 | 5 | 2.5 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](Cc2ccccc2)C1=O | nan | ||
| 56926269 | 68661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 460 | 5 | 3 | 5 | 2.0 | CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O | nan | ||
| CHEMBL1923511 | 68661 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 460 | 5 | 3 | 5 | 2.0 | CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O | nan | ||
| 56926356 | 68662 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL1923512 | 68662 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | nan | ||
| 56926465 | 68683 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 4 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| CHEMBL1923613 | 68683 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 4 | 4 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| 56926782 | 68700 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923631 | 68700 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926784 | 68702 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923633 | 68702 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 56926785 | 68703 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL1923634 | 68703 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 71452183 | 83102 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O | nan | ||
| CHEMBL2203623 | 83102 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O | nan | ||
| 134131439 | 141851 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 527 | 4 | 4 | 6 | 1.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCN)C(=O)N1C | nan | ||
| CHEMBL3889672 | 141851 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 527 | 4 | 4 | 6 | 1.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCN)C(=O)N1C | nan | ||
| 134137460 | 142091 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 4 | 5 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| CHEMBL3891657 | 142091 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 4 | 5 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| 134136637 | 142176 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 5 | 4 | 6 | 1.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCN)C(=O)N1C | nan | ||
| CHEMBL3892319 | 142176 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 541 | 5 | 4 | 6 | 1.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCN)C(=O)N1C | nan | ||
| 134136946 | 142210 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 5 | 4 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccc(C(=O)O)cc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3892517 | 142210 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 5 | 4 | 6 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccc(C(=O)O)cc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134136405 | 142375 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 616 | 4 | 4 | 5 | 4.6 | CC[C@H](C)[C@@H]1NCCOc2ccc(Cl)cc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3893850 | 142375 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 616 | 4 | 4 | 5 | 4.6 | CC[C@H](C)[C@@H]1NCCOc2ccc(Cl)cc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134133771 | 142797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 4 | 3 | 5 | 2.3 | CCC[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NCCOc2ccccc2CCCNC1=O | nan | ||
| CHEMBL3897387 | 142797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 4 | 3 | 5 | 2.3 | CCC[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NCCOc2ccccc2CCCNC1=O | nan | ||
| 134133353 | 142975 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 5 | 3 | 5 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O | nan | ||
| CHEMBL3898864 | 142975 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 5 | 3 | 5 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C1=O | nan | ||
| 134134505 | 143124 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 4 | 4 | 4 | 4.3 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3900035 | 143124 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 4 | 4 | 4 | 4.3 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134134605 | 143133 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 3 | 3 | 5 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3900122 | 143133 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 3 | 3 | 5 | 2.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134134099 | 143187 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 639 | 4 | 4 | 6 | 4.1 | N#Cc1ccccc1C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3900636 | 143187 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 639 | 4 | 4 | 6 | 4.1 | N#Cc1ccccc1C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134135897 | 143450 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 530 | 4 | 4 | 4 | 4.0 | CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3902804 | 143450 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 530 | 4 | 4 | 4 | 4.0 | CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134134825 | 143535 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 476 | 3 | 3 | 5 | 1.4 | C[C@@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NCCCCCOCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3903351 | 143535 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 476 | 3 | 3 | 5 | 1.4 | C[C@@H]1C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NCCCCCOCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 72989837 | 143571 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CCC(C)C1NCCOc2ccccc2CCCNC(=O)C(Cc2ccccc2)NC(=O)C(CO)N(C)C1=O | nan | ||
| CHEMBL3903647 | 143571 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 5 | 4 | 6 | 1.7 | CCC(C)C1NCCOc2ccccc2CCCNC(=O)C(Cc2ccccc2)NC(=O)C(CO)N(C)C1=O | nan | ||
| 134135712 | 143594 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 533 | 4 | 4 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3903845 | 143594 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 533 | 4 | 4 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C1=O | nan | ||
| 134136025 | 143788 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 6 | 4 | 6 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](COCc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| CHEMBL3905495 | 143788 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 6 | 4 | 6 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](COCc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| 134134870 | 143847 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 3 | 4 | 5 | 2.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3905987 | 143847 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 3 | 4 | 5 | 2.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134135261 | 143940 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC)N(C)C1=O | nan | ||
| CHEMBL3906788 | 143940 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC)N(C)C1=O | nan | ||
| 134134893 | 143966 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 2 | 3 | 5 | 3.3 | C[C@H]1C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)N1C | nan | ||
| CHEMBL3907031 | 143966 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 2 | 3 | 5 | 3.3 | C[C@H]1C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)N1C | nan | ||
| 134132666 | 144020 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 583 | 4 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2cccnc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3907480 | 144020 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 583 | 4 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2cccnc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134132519 | 144104 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 4 | 4 | 6 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccsc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3908156 | 144104 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 4 | 4 | 6 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccsc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134132427 | 144156 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 622 | 5 | 4 | 5 | 5.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3908583 | 144156 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 622 | 5 | 4 | 5 | 5.0 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134131971 | 144383 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2C(C)CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3910288 | 144383 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2C(C)CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134132265 | 144426 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 548 | 3 | 4 | 6 | 2.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOCC2)NC1=O | nan | ||
| CHEMBL3910661 | 144426 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 548 | 3 | 4 | 6 | 2.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOCC2)NC1=O | nan | ||
| 134131903 | 144593 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 529 | 4 | 3 | 7 | 2.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cscn2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3912034 | 144593 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 529 | 4 | 3 | 7 | 2.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cscn2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134132099 | 144665 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 4 | 4 | 6 | 3.4 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccs2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3912534 | 144665 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 4 | 4 | 6 | 3.4 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccs2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134142223 | 144798 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 480 | 4 | 4 | 5 | 1.7 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC1=O | nan | ||
| CHEMBL3913486 | 144798 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 480 | 4 | 4 | 5 | 1.7 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC1=O | nan | ||
| 134142139 | 144857 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 5 | 4 | 6 | 3.6 | COc1ccc(C[C@@H]2NCCOc3ccccc3/C=C\CNC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CCCC3)NC2=O)cc1 | nan | ||
| CHEMBL3913981 | 144857 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 5 | 4 | 6 | 3.6 | COc1ccc(C[C@@H]2NCCOc3ccccc3/C=C\CNC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CCCC3)NC2=O)cc1 | nan | ||
| 76460236 | 144915 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CCC(C)C1NCCCCCCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3914338 | 144915 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CCC(C)C1NCCCCCCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134143044 | 144928 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 488 | 4 | 3 | 5 | 2.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3914467 | 144928 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 488 | 4 | 3 | 5 | 2.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134143657 | 145191 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 528 | 4 | 3 | 6 | 1.4 | COC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3916501 | 145191 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 528 | 4 | 3 | 6 | 1.4 | COC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134143398 | 145389 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCC(C)(C)c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3918022 | 145389 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCC(C)(C)c2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134139992 | 145794 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccccc1Cl | nan | ||
| CHEMBL3921227 | 145794 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccccc1Cl | nan | ||
| 134140213 | 146075 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 513 | 3 | 4 | 6 | 0.8 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CN)C(=O)N1C | nan | ||
| CHEMBL3923324 | 146075 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 513 | 3 | 4 | 6 | 0.8 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CN)C(=O)N1C | nan | ||
| 134140762 | 146120 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 505 | 4 | 2 | 5 | 3.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@@H](C1=O)C2=O | nan | ||
| CHEMBL3923718 | 146120 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 505 | 4 | 2 | 5 | 3.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@@H](C1=O)C2=O | nan | ||
| 134141057 | 146150 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 518 | 3 | 4 | 5 | 2.7 | CCC1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3923918 | 146150 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 518 | 3 | 4 | 5 | 2.7 | CCC1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134140844 | 146680 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccc(Cl)c1 | nan | ||
| CHEMBL3928367 | 146680 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccc(Cl)c1 | nan | ||
| 68186750 | 146842 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.8 | CC1CCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc21 | nan | ||
| CHEMBL3929656 | 146842 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.8 | CC1CCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc21 | nan | ||
| 134138656 | 147009 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3930811 | 147009 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134138764 | 147091 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 5 | 3 | 7 | 2.1 | COc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1OC | nan | ||
| CHEMBL3931402 | 147091 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 5 | 3 | 7 | 2.1 | COc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1OC | nan | ||
| 134138160 | 147120 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 512 | 4 | 4 | 6 | 1.4 | CCC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3931716 | 147120 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 512 | 4 | 4 | 6 | 1.4 | CCC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134137758 | 147429 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 500 | 7 | 4 | 5 | 3.2 | CCCC[C@@H]1NC(=O)[C@H](CCCC)NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C\CNC1=O | nan | ||
| CHEMBL3934093 | 147429 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 500 | 7 | 4 | 5 | 3.2 | CCCC[C@@H]1NC(=O)[C@H](CCCC)NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C\CNC1=O | nan | ||
| 134137945 | 147441 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 580 | 3 | 4 | 5 | 3.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC1=O | nan | ||
| CHEMBL3934184 | 147441 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 580 | 3 | 4 | 5 | 3.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC1=O | nan | ||
| 134149048 | 147532 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 522 | 3 | 5 | 6 | 1.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@H]1CO | nan | ||
| CHEMBL3934901 | 147532 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 522 | 3 | 5 | 6 | 1.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@H]1CO | nan | ||
| 134149058 | 147590 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 586 | 4 | 4 | 6 | 3.6 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccs1 | nan | ||
| CHEMBL3935422 | 147590 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 586 | 4 | 4 | 6 | 3.6 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccs1 | nan | ||
| 134149451 | 147621 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3935626 | 147621 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134148804 | 147774 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 564 | 3 | 4 | 6 | 2.9 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCSCC2)NC1=O | nan | ||
| CHEMBL3936957 | 147774 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 564 | 3 | 4 | 6 | 2.9 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCSCC2)NC1=O | nan | ||
| 58012657 | 147821 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 544 | 4 | 3 | 5 | 3.9 | CCC[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3937314 | 147821 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 544 | 4 | 3 | 5 | 3.9 | CCC[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 134149772 | 147935 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 592 | 4 | 4 | 4 | 5.0 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3938132 | 147935 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 592 | 4 | 4 | 4 | 5.0 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134149793 | 148061 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CC)C1=O | nan | ||
| CHEMBL3939196 | 148061 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(CC)C1=O | nan | ||
| 134148754 | 148155 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 646 | 8 | 3 | 6 | 4.0 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C(COCc2ccccc2)N(C)C1=O | nan | ||
| CHEMBL3939993 | 148155 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 646 | 8 | 3 | 6 | 4.0 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C(COCc2ccccc2)N(C)C1=O | nan | ||
| 134145258 | 148258 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 580 | 4 | 4 | 4 | 4.8 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3940860 | 148258 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 580 | 4 | 4 | 4 | 4.8 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145652 | 148479 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 576 | 6 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](COCc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3942543 | 148479 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 576 | 6 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](COCc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145920 | 148482 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 2 | 4 | 5 | 2.3 | C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3942554 | 148482 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 2 | 4 | 5 | 2.3 | C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134146710 | 148486 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 587 | 4 | 4 | 7 | 3.0 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cscn1 | nan | ||
| CHEMBL3942610 | 148486 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 587 | 4 | 4 | 7 | 3.0 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cscn1 | nan | ||
| 134145820 | 148490 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3942642 | 148490 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134146617 | 148571 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 4 | 4 | 5 | 3.0 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3943228 | 148571 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 4 | 4 | 5 | 3.0 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145420 | 148769 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 564 | 6 | 3 | 5 | 3.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)N(C)C1=O | nan | ||
| CHEMBL3944936 | 148769 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 564 | 6 | 3 | 5 | 3.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)N(C)C1=O | nan | ||
| 134147617 | 148891 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| CHEMBL3945918 | 148891 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| 134147244 | 148902 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 536 | 4 | 4 | 6 | 2.0 | CC[C@H](C)[C@@H]1NCCOCCOCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3945984 | 148902 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 536 | 4 | 4 | 6 | 2.0 | CC[C@H](C)[C@@H]1NCCOCCOCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134148131 | 149154 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 568 | 4 | 4 | 6 | 2.6 | COC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3947758 | 149154 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 568 | 4 | 4 | 6 | 2.6 | COC[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134147387 | 149273 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 518 | 4 | 4 | 4 | 3.9 | CC[C@H](C)[C@@H]1NCCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3948746 | 149273 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 518 | 4 | 4 | 4 | 3.9 | CC[C@H](C)[C@@H]1NCCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134147861 | 149313 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 526 | 2 | 4 | 5 | 2.9 | CC1(C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C(C)(C)NC1=O | nan | ||
| CHEMBL3949023 | 149313 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 526 | 2 | 4 | 5 | 2.9 | CC1(C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C(C)(C)NC1=O | nan | ||
| 134147972 | 149394 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 488 | 4 | 3 | 5 | 2.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3949704 | 149394 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 488 | 4 | 3 | 5 | 2.5 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134147412 | 149422 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.4 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2cccc(C(F)(F)F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3949926 | 149422 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.4 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2cccc(C(F)(F)F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134148083 | 149567 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 546 | 3 | 4 | 5 | 3.4 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC1=O | nan | ||
| CHEMBL3951110 | 149567 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 546 | 3 | 4 | 5 | 3.4 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC1=O | nan | ||
| 134144491 | 149596 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 4 | 4 | 4 | 3.5 | CC[C@H](C)[C@@H]1NCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3951362 | 149596 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 4 | 4 | 4 | 3.5 | CC[C@H](C)[C@@H]1NCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134143693 | 149612 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 4 | 4 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOCCCCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3951593 | 149612 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 4 | 4 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOCCCCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134145200 | 149907 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 6 | 4 | 6 | 2.8 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(COCc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| CHEMBL3954124 | 149907 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 6 | 4 | 6 | 2.8 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(COCc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| 134144043 | 149944 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 570 | 4 | 5 | 6 | 2.3 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1c[nH]cn1 | nan | ||
| CHEMBL3954394 | 149944 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 570 | 4 | 5 | 6 | 2.3 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1c[nH]cn1 | nan | ||
| 134144941 | 149982 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2cc(F)cc(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3954620 | 149982 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2cc(F)cc(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134144060 | 150112 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3955632 | 150112 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 580 | 4 | 4 | 5 | 4.0 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134155541 | 150493 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CCC(C)C1NCCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3958657 | 150493 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CCC(C)C1NCCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134155247 | 150506 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 630 | 4 | 4 | 5 | 4.7 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc2ccccc2c1 | nan | ||
| CHEMBL3958739 | 150506 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 630 | 4 | 4 | 5 | 4.7 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc2ccccc2c1 | nan | ||
| 117812381 | 150807 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 592 | 3 | 3 | 5 | 3.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(C(F)(F)F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3961160 | 150807 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 592 | 3 | 3 | 5 | 3.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(C(F)(F)F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134155292 | 150858 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 458 | 4 | 3 | 5 | 1.3 | CC[C@H](C)[C@@H]1NCCOC/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3961641 | 150858 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 458 | 4 | 3 | 5 | 1.3 | CC[C@H](C)[C@@H]1NCCOC/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134154704 | 150866 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 510 | 2 | 4 | 5 | 3.1 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)C2(CCCC2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3961696 | 150866 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 510 | 2 | 4 | 5 | 3.1 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)C2(CCCC2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134152627 | 151004 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3963078 | 151004 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCc2ccccc2C/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134150950 | 151061 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 5 | 4 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3963523 | 151061 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 5 | 4 | 5 | 2.8 | CCC[C@@H]1NC(=O)[C@@H](C(C)C)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 57528212 | 151279 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 2 | 2 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN2CCC[C@H]2C(=O)N1C | nan | ||
| CHEMBL3965338 | 151279 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 2 | 2 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN2CCC[C@H]2C(=O)N1C | nan | ||
| 134150767 | 151282 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 2 | 4 | 5 | 3.0 | C[C@@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| CHEMBL3965351 | 151282 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 2 | 4 | 5 | 3.0 | C[C@@H]1NC(=O)C2(CCCC2)NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC1=O | nan | ||
| 134150369 | 151312 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 3 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2cc(F)ccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)N(C)C1=O | nan | ||
| CHEMBL3965516 | 151312 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 614 | 4 | 3 | 5 | 4.4 | CC[C@H](C)[C@@H]1NCCOc2cc(F)ccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)N(C)C1=O | nan | ||
| 134150388 | 151381 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 617 | 5 | 4 | 7 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3966251 | 151381 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 617 | 5 | 4 | 7 | 1.6 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134150696 | 151535 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CCC(C)C1NCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3967506 | 151535 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CCC(C)C1NCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134153608 | 151826 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3970180 | 151826 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 3.2 | CC[C@H](C)[C@@H]1NCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134154369 | 151850 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3970414 | 151850 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134153972 | 151858 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 526 | 3 | 3 | 6 | 1.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCOc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3970491 | 151858 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 526 | 3 | 3 | 6 | 1.7 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCOc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134154079 | 151859 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 512 | 4 | 4 | 5 | 3.2 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](CC(C)C)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3970499 | 151859 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 512 | 4 | 4 | 5 | 3.2 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](CC(C)C)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134153529 | 151904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 548 | 5 | 4 | 5 | 3.4 | CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3970856 | 151904 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 548 | 5 | 4 | 5 | 3.4 | CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134154612 | 151967 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 4 | 2 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@H](C2=O)N(C)C1=O | nan | ||
| CHEMBL3971356 | 151967 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 534 | 4 | 2 | 5 | 2.8 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)N2CC[C@H](C2=O)N(C)C1=O | nan | ||
| 134153232 | 152035 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.5 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@H]1Cc1ccccc1 | nan | ||
| CHEMBL3971845 | 152035 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.5 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@H]1Cc1ccccc1 | nan | ||
| 134154534 | 152200 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 3 | 3 | 5 | 1.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC/C=C\COCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3973254 | 152200 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 474 | 3 | 3 | 5 | 1.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCC/C=C\COCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134154022 | 152281 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3973940 | 152281 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134151581 | 152662 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 4 | 4 | 5 | 4.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2C(C)(C)CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3977241 | 152662 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 610 | 4 | 4 | 5 | 4.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2C(C)(C)CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 57528347 | 152666 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | ||
| CHEMBL3977265 | 152666 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 520 | 4 | 3 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | ||
| 134152388 | 152672 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 594 | 5 | 4 | 5 | 4.0 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1CCc1ccccc1 | nan | ||
| CHEMBL3977294 | 152672 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 594 | 5 | 4 | 5 | 4.0 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1CCc1ccccc1 | nan | ||
| 134151706 | 152808 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.4 | CC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| CHEMBL3978455 | 152808 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.4 | CC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O | nan | ||
| 134151524 | 152834 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 644 | 5 | 4 | 6 | 4.2 | COc1ccccc1C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3978661 | 152834 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 644 | 5 | 4 | 6 | 4.2 | COc1ccccc1C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134152209 | 152856 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 510 | 3 | 4 | 6 | 1.0 | CC(O)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3978864 | 152856 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 510 | 3 | 4 | 6 | 1.0 | CC(O)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134152547 | 152937 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 4 | 4 | 5 | 2.9 | CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3979606 | 152937 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 532 | 4 | 4 | 5 | 2.9 | CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 11421086 | 153020 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 522 | 4 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN1C | nan | ||
| CHEMBL3980276 | 153020 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 522 | 4 | 2 | 5 | 2.8 | CCC[C@H]1C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN1C | nan | ||
| 134157913 | 153085 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 3 | 4 | 5 | 2.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| CHEMBL3980873 | 153085 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 504 | 3 | 4 | 5 | 2.2 | CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| 134156625 | 153105 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 4 | 3 | 5 | 1.7 | CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| CHEMBL3981072 | 153105 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 4 | 3 | 5 | 1.7 | CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | nan | ||
| 134157438 | 153202 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 505 | 4 | 5 | 5 | 1.9 | CC[C@H](C)[C@@H]1NCCCNCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3981843 | 153202 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 505 | 4 | 5 | 5 | 1.9 | CC[C@H](C)[C@@H]1NCCCNCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134157625 | 153215 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccc(F)c(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3981960 | 153215 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 582 | 4 | 4 | 5 | 3.6 | CCC(C)C1NCCOc2ccccc2/C=C\CNC(=O)C(Cc2ccc(F)c(F)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 59834193 | 153606 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.5 | CC1CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc2C1 | nan | ||
| CHEMBL3985477 | 153606 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.5 | CC1CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc2C1 | nan | ||
| 134156443 | 153800 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 5 | 3 | 5 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C1=O | nan | ||
| CHEMBL3986906 | 153800 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 550 | 5 | 3 | 5 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)N(C)C1=O | nan | ||
| 56926176 | 68657 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL1923505 | 68657 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 56926266 | 68659 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 523 | 6 | 4 | 6 | 1.4 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCCN)C1=O | nan | ||
| CHEMBL1923508 | 68659 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 523 | 6 | 4 | 6 | 1.4 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCCN)C1=O | nan | ||
| 134133634 | 143090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 549 | 4 | 4 | 6 | 2.7 | CC(C)C[C@@H]1NCCOc2cccnc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3899825 | 143090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 549 | 4 | 4 | 6 | 2.7 | CC(C)C[C@@H]1NCCOc2cccnc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 57722117 | 143140 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 466 | 2 | 3 | 5 | 1.3 | C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3900193 | 143140 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 466 | 2 | 3 | 5 | 1.3 | C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 57722068 | 143389 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 478 | 3 | 3 | 6 | 0.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCOCCOCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| CHEMBL3902231 | 143389 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 478 | 3 | 3 | 6 | 0.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCOCCOCCN[C@@H](C2CC2)C(=O)N1C | nan | ||
| 134135595 | 143420 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 598 | 4 | 4 | 5 | 5.1 | CC(C)C[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3902597 | 143420 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 598 | 4 | 4 | 5 | 5.1 | CC(C)C[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134139160 | 145664 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 560 | 4 | 3 | 5 | 3.7 | CC(C)C[C@H]1C(=O)NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN1C | nan | ||
| CHEMBL3920156 | 145664 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 560 | 4 | 3 | 5 | 3.7 | CC(C)C[C@H]1C(=O)NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN1C | nan | ||
| 134140250 | 145701 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 562 | 5 | 4 | 5 | 3.7 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](CCc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3920479 | 145701 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 562 | 5 | 4 | 5 | 3.7 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](CCc2ccccc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 57951693 | 145732 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | ||
| CHEMBL3920711 | 145732 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | ||
| 134140177 | 145825 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CC(C)C[C@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3921493 | 145825 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 596 | 4 | 4 | 5 | 4.3 | CC(C)C[C@H]1NC[C@H](C)Oc2ccccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134139639 | 146094 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 556 | 6 | 4 | 7 | 2.5 | CCOC(=O)CC[C@@H]1NC(=O)C2(CCCC2)NC(=O)[C@H](CC(C)C)NCCOc2ccccc2/C=C\CNC1=O | nan | ||
| CHEMBL3923467 | 146094 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 556 | 6 | 4 | 7 | 2.5 | CCOC(=O)CC[C@@H]1NC(=O)C2(CCCC2)NC(=O)[C@H](CC(C)C)NCCOc2ccccc2/C=C\CNC1=O | nan | ||
| 134140216 | 146099 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 587 | 4 | 5 | 5 | 3.8 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3923508 | 146099 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 587 | 4 | 5 | 5 | 3.8 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134141155 | 146183 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 596 | 4 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| CHEMBL3924187 | 146183 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 596 | 4 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NC[C@H](C)Oc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCOC2)NC1=O | nan | ||
| 134137626 | 146938 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 4 | 5 | 6 | 3.0 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3930400 | 146938 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 4 | 5 | 6 | 3.0 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134148332 | 147737 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 583 | 4 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ncccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3936664 | 147737 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 583 | 4 | 4 | 6 | 3.3 | CC[C@H](C)[C@@H]1NCCOc2ncccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 57528213 | 147940 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 534 | 4 | 3 | 5 | 2.9 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | ||
| CHEMBL3938163 | 147940 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 534 | 4 | 3 | 5 | 2.9 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O | nan | ||
| 134149424 | 148092 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](C(C)c2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3939431 | 148092 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](C(C)c2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 57951672 | 149050 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| CHEMBL3946954 | 149050 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| 134147008 | 149392 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 522 | 4 | 4 | 5 | 2.8 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| CHEMBL3949653 | 149392 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 522 | 4 | 4 | 5 | 2.8 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O | nan | ||
| 134155726 | 150474 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 478 | 3 | 3 | 6 | 0.2 | CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NCCOCCOCCNC(C2CC2)C(=O)N1C | nan | ||
| CHEMBL3958492 | 150474 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 478 | 3 | 3 | 6 | 0.2 | CC1C(=O)NC(Cc2ccc(F)cc2)C(=O)NCCOCCOCCNC(C2CC2)C(=O)N1C | nan | ||
| 134155844 | 150544 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 570 | 6 | 4 | 5 | 3.3 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3959055 | 150544 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 570 | 6 | 4 | 5 | 3.3 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O | nan | ||
| 57528307 | 150583 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 520 | 4 | 3 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | ||
| CHEMBL3959346 | 150583 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 520 | 4 | 3 | 5 | 2.6 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | ||
| 134156186 | 150806 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 490 | 4 | 4 | 4 | 3.1 | CC[C@H](C)[C@@H]1NCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3961157 | 150806 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 490 | 4 | 4 | 4 | 3.1 | CC[C@H](C)[C@@H]1NCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134150525 | 151020 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 551 | 8 | 5 | 6 | 2.2 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | nan | ||
| CHEMBL3963236 | 151020 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 551 | 8 | 5 | 6 | 2.2 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | nan | ||
| 134149894 | 151290 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc(Cl)cc1 | nan | ||
| CHEMBL3965402 | 151290 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 614 | 4 | 4 | 5 | 4.2 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc(Cl)cc1 | nan | ||
| 134150119 | 151503 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 580 | 6 | 4 | 6 | 3.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](COC(C)(C)C)NC1=O | nan | ||
| CHEMBL3967266 | 151503 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 580 | 6 | 4 | 6 | 3.2 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](COC(C)(C)C)NC1=O | nan | ||
| 134150914 | 151536 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 6 | 3 | 5 | 3.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)CC)N(C)C1=O | nan | ||
| CHEMBL3967522 | 151536 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 564 | 6 | 3 | 5 | 3.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)CC)N(C)C1=O | nan | ||
| 57722047 | 152322 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 436 | 4 | 3 | 4 | 1.8 | CCC[C@@H]1NCc2cccc(c2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3974323 | 152322 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 436 | 4 | 3 | 4 | 1.8 | CCC[C@@H]1NCc2cccc(c2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 57951687 | 152327 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 4 | 4 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | ||
| CHEMBL3974356 | 152327 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 494 | 4 | 4 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | nan | ||
| 57528291 | 152371 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 534 | 4 | 3 | 5 | 2.9 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | ||
| CHEMBL3974776 | 152371 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 534 | 4 | 3 | 5 | 2.9 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | nan | ||
| 134152485 | 152630 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 604 | 5 | 4 | 6 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(C(=O)O)cc2)NC(=O)C2(CCCC2)N(C)C1=O | nan | ||
| CHEMBL3976941 | 152630 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 604 | 5 | 4 | 6 | 3.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccc(C(=O)O)cc2)NC(=O)C2(CCCC2)N(C)C1=O | nan | ||
| 134151873 | 152654 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 630 | 4 | 4 | 5 | 4.7 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccc2ccccc12 | nan | ||
| CHEMBL3977166 | 152654 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 630 | 4 | 4 | 5 | 4.7 | O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccc2ccccc12 | nan | ||
| 76556607 | 153009 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 534 | 4 | 2 | 5 | 2.8 | CCC(C)C1NCCOc2ccccc2CCCNC(=O)C(Cc2ccccc2)N2CCC(C2=O)N(C)C1=O | nan | ||
| CHEMBL3980176 | 153009 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 534 | 4 | 2 | 5 | 2.8 | CCC(C)C1NCCOc2ccccc2CCCNC(=O)C(Cc2ccccc2)N2CCC(C2=O)N(C)C1=O | nan | ||
| 134157812 | 153124 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 506 | 3 | 4 | 5 | 2.1 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| CHEMBL3981235 | 153124 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 506 | 3 | 4 | 5 | 2.1 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CC2)NC1=O | nan | ||
| 134156737 | 153153 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 547 | 4 | 4 | 6 | 2.8 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccncc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| CHEMBL3981446 | 153153 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 547 | 4 | 4 | 6 | 2.8 | CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccncc2)NC(=O)C2(CCCC2)NC1=O | nan | ||
| 134156806 | 153548 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 536 | 6 | 4 | 5 | 3.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O | nan | ||
| CHEMBL3984892 | 153548 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 536 | 6 | 4 | 5 | 3.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O | nan | ||
| 134157124 | 153660 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 492 | 2 | 4 | 5 | 1.9 | O=C1CNCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1 | nan | ||
| CHEMBL3985913 | 153660 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 492 | 2 | 4 | 5 | 1.9 | O=C1CNCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1 | nan | ||
| 11706547 | 68689 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 540 | 3 | 3 | 5 | 2.8 | CC(C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923619 | 68689 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 540 | 3 | 3 | 5 | 2.8 | CC(C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 134138625 | 147486 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 494 | 3 | 3 | 5 | 1.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3934561 | 147486 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 494 | 3 | 3 | 5 | 1.9 | CC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 44434011 | 147319 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 12 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL393321 | 147319 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 465 | 12 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 70692601 | 75507 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048814 | 75507 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 481 | 7 | 0 | 7 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 127046957 | 139164 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 649 | 12 | 3 | 7 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798155 | 139164 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 649 | 12 | 3 | 7 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127046472 | 139151 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798056 | 139151 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56926266 | 68659 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 523 | 6 | 4 | 6 | 1.4 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCCN)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923508 | 68659 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 523 | 6 | 4 | 6 | 1.4 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCCCN)C1=O | 10.1021/jm2007062 | ||
| 73352329 | 91819 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426669 | 91819 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 70692602 | 75508 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 8 | 0 | 5 | 3.5 | CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048815 | 75508 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 423 | 8 | 0 | 5 | 3.5 | CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| 162665974 | 181643 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 612 | 13 | 3 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4783347 | 181643 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 612 | 13 | 3 | 6 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44396381 | 67176 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 558 | 13 | 2 | 3 | 6.2 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| CHEMBL189625 | 67176 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 558 | 13 | 2 | 3 | 6.2 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| 44396377 | 66594 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 532 | 13 | 2 | 4 | 5.8 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(Cc1ccc(C)o1)C(=O)NC1CCCCC1 | 10.1021/jm040103i | ||
| CHEMBL186647 | 66594 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 532 | 13 | 2 | 4 | 5.8 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(Cc1ccc(C)o1)C(=O)NC1CCCCC1 | 10.1021/jm040103i | ||
| 44396269 | 67004 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 10 | 2 | 3 | 4.2 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C)C(=O)NC(C)(C)C | 10.1021/jm040103i | ||
| CHEMBL188586 | 67004 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 426 | 10 | 2 | 3 | 4.2 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C)C(=O)NC(C)(C)C | 10.1021/jm040103i | ||
| 56926895 | 68708 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 3.0 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC(C)(C)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923639 | 68708 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 3.0 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC(C)(C)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 56942244 | 124664 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645259 | 124664 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 632 | 12 | 5 | 7 | 4.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162648546 | 179288 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 536 | 13 | 3 | 6 | 3.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC=O)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4745666 | 179288 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 536 | 13 | 3 | 6 | 3.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC=O)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 58438460 | 111233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL3287217 | 111233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 56926356 | 68662 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923512 | 68662 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 510 | 4 | 4 | 6 | 1.8 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 56926176 | 68657 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923505 | 68657 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 71453390 | 81417 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 526 | 6 | 2 | 4 | 4.4 | C=CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164500 | 81417 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 526 | 6 | 2 | 4 | 4.4 | C=CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 162663952 | 181560 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 636 | 13 | 2 | 7 | 6.6 | COc1ccc(/C=C(\C#N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4782383 | 181560 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 636 | 13 | 2 | 7 | 6.6 | COc1ccc(/C=C(\C#N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 118725963 | 116679 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | COc1ccc(OCC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| CHEMBL3394203 | 116679 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | COc1ccc(OCC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| 44434112 | 168283 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL438154 | 168283 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 3174463 | 66420 | 3 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 532 | 12 | 2 | 3 | 6.2 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| CHEMBL185876 | 66420 | 3 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 532 | 12 | 2 | 3 | 6.2 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| 56926464 | 68682 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O | nan | ||
| CHEMBL1923612 | 68682 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O | nan | ||
| 118725960 | 116675 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 4.5 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C#N)c1 | 10.1021/ml500414n | ||
| CHEMBL3394199 | 116675 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 4.5 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C#N)c1 | 10.1021/ml500414n | ||
| 162657547 | 180391 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 694 | 15 | 2 | 9 | 6.2 | COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4758721 | 180391 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 694 | 15 | 2 | 9 | 6.2 | COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162658148 | 180556 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 565 | 13 | 4 | 7 | 3.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CN)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4760746 | 180556 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 565 | 13 | 4 | 7 | 3.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CN)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162662164 | 180818 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 636 | 12 | 3 | 6 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4763700 | 180818 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 636 | 12 | 3 | 6 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 127047362 | 139176 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 590 | 11 | 5 | 7 | 4.7 | COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798204 | 139176 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 590 | 11 | 5 | 7 | 4.7 | COc1ccc(Cn2c([C@H](N)Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 3154000 | 123738 | 5 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 530 | 12 | 3 | 4 | 5.8 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(O)cc1 | 10.1021/jm040103i | ||
| CHEMBL363467 | 123738 | 5 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 530 | 12 | 3 | 4 | 5.8 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(O)cc1 | 10.1021/jm040103i | ||
| 162651277 | 179606 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 598 | 14 | 3 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCc2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4749525 | 179606 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 598 | 14 | 3 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCc2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 3180629 | 67001 | 5 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 518 | 11 | 2 | 3 | 5.8 | CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| CHEMBL188582 | 67001 | 5 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 518 | 11 | 2 | 3 | 5.8 | CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| 44434016 | 89748 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 415 | 12 | 3 | 7 | 1.5 | CCCCNC(=O)CCn1nnnc1[C@@H](CCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL238228 | 89748 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 415 | 12 | 3 | 7 | 1.5 | CCCCNC(=O)CCn1nnnc1[C@@H](CCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 72190452 | 91832 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426682 | 91832 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 118725964 | 116680 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 7 | 1 | 6 | 4.1 | COc1ccc(CCC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| CHEMBL3394204 | 116680 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 539 | 7 | 1 | 6 | 4.1 | COc1ccc(CCC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| 70692600 | 75506 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 7 | 0 | 7 | 2.8 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048813 | 75506 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 447 | 7 | 0 | 7 | 2.8 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4nccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 70682036 | 75510 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 4.3 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4n[nH]c5ccccc45)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048817 | 75510 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 4.3 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4n[nH]c5ccccc45)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 70686293 | 75515 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 5 | 0 | 7 | 3.8 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-c5ncccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048822 | 75515 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 472 | 5 | 0 | 7 | 3.8 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-c5ncccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 58438460 | 111233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml500414n | ||
| CHEMBL3287217 | 111233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml500414n | ||
| 162660604 | 180627 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 700 | 15 | 3 | 9 | 5.0 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCN3CCCCC3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4761319 | 180627 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 700 | 15 | 3 | 9 | 5.0 | COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCN3CCCCC3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162671996 | 182239 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 707 | 16 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4791255 | 182239 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 707 | 16 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 25032438 | 115683 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 14 | 2 | 6 | 3.8 | CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(OC)cc2)n[nH]1 | 10.1021/jm5003183 | ||
| CHEMBL3358450 | 115683 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 14 | 2 | 6 | 3.8 | CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(OC)cc2)n[nH]1 | 10.1021/jm5003183 | ||
| 11692516 | 68691 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 3 | 3 | 5 | 3.1 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923621 | 68691 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 554 | 3 | 3 | 5 | 3.1 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 67407161 | 91838 | 0 | None | 1819 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 467 | 5 | 0 | 5 | 4.3 | CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426688 | 91838 | 0 | None | 1819 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 467 | 5 | 0 | 5 | 4.3 | CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 67410074 | 111232 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL3287216 | 111232 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 56926782 | 68700 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923631 | 68700 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 472 | 4 | 3 | 4 | 3.0 | CC[C@H](C)[C@@H]1NCCCCCCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 70696687 | 75505 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4cccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048812 | 75505 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 7 | 0 | 6 | 3.4 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4cccn4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 127046806 | 139390 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 638 | 13 | 4 | 7 | 5.4 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799604 | 139390 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 638 | 13 | 4 | 7 | 5.4 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127048038 | 139429 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799862 | 139429 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44434076 | 89333 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 10 | 2 | 9 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC1CN(S(C)(=O)=O)c2ccccc21 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237717 | 89333 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 513 | 10 | 2 | 9 | 1.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC1CN(S(C)(=O)=O)c2ccccc21 | 10.1016/j.bmcl.2007.07.099 | ||
| 56926463 | 68681 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923611 | 68681 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 11526696 | 71243 | 13 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923502 | 71243 | 13 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1963249 | 71243 | 13 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 72191051 | 91816 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 456 | 5 | 0 | 6 | 3.4 | CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426666 | 91816 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 456 | 5 | 0 | 6 | 3.4 | CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 58438460 | 111233 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL3287217 | 111233 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 56926783 | 68701 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 4 | 3 | 4 | 2.8 | CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923632 | 68701 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 4 | 3 | 4 | 2.8 | CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 162658631 | 180491 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 561 | 12 | 3 | 7 | 3.6 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#N)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4759983 | 180491 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 561 | 12 | 3 | 7 | 3.6 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#N)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 118725958 | 116674 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 4 | 0 | 7 | 3.9 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4nn(C)c5ncccc45)CC3)C2)ncn1 | 10.1021/ml500414n | ||
| CHEMBL3394197 | 116674 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 4 | 0 | 7 | 3.9 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4nn(C)c5ncccc45)CC3)C2)ncn1 | 10.1021/ml500414n | ||
| 162659337 | 180724 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 665 | 15 | 3 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C#N)Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4762631 | 180724 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 665 | 15 | 3 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C#N)Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 73355325 | 91821 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C(C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426671 | 91821 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C(C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 70696688 | 75511 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 9 | 0 | 6 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048818 | 75511 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 9 | 0 | 6 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cn1 | 10.1016/j.bmcl.2012.05.024 | ||
| 127048060 | 139318 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 789 | 20 | 6 | 10 | 5.4 | COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799222 | 139318 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 789 | 20 | 6 | 10 | 5.4 | COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942388 | 139400 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799687 | 139400 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 613 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162677361 | 182917 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 685 | 16 | 4 | 8 | 4.7 | COc1ccc(C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4799766 | 182917 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 685 | 16 | 4 | 8 | 4.7 | COc1ccc(C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 58438475 | 91827 | 0 | None | 1548 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml400473x | ||
| CHEMBL2426677 | 91827 | 0 | None | 1548 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml400473x | ||
| 44434109 | 145736 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 529 | 13 | 2 | 9 | 1.8 | CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N)S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392076 | 145736 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 529 | 13 | 2 | 9 | 1.8 | CN(c1ccccc1CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N)S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 134139080 | 147138 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| CHEMBL3931856 | 147138 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 508 | 4 | 4 | 5 | 2.4 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | nan | ||
| 44434010 | 88331 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 14 | 3 | 8 | 1.5 | CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236311 | 88331 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 445 | 14 | 3 | 8 | 1.5 | CCCCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 127047655 | 139071 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797531 | 139071 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 44340007 | 9209 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 9 | 2 | 6 | 2.0 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccc(F)c(F)c3)NC(=O)C(C)(C)N)CC2(Cc2ccccc2)C1=O | 10.1016/s0960-894x(02)00734-5 | ||
| CHEMBL111026 | 9209 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 9 | 2 | 6 | 2.0 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccc(F)c(F)c3)NC(=O)C(C)(C)N)CC2(Cc2ccccc2)C1=O | 10.1016/s0960-894x(02)00734-5 | ||
| 56925344 | 68710 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 550 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@@H](CC3)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923641 | 68710 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 550 | 3 | 3 | 5 | 2.5 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@@H](CC3)CN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 44434083 | 89586 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 420 | 10 | 2 | 7 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL238155 | 89586 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 420 | 10 | 2 | 7 | 2.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C/C=C/c1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434050 | 144905 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL391428 | 144905 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44396306 | 66926 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 452 | 11 | 2 | 3 | 4.7 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C)C(=O)NC1CCCCC1 | 10.1021/jm040103i | ||
| CHEMBL188173 | 66926 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 452 | 11 | 2 | 3 | 4.7 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C)C(=O)NC1CCCCC1 | 10.1021/jm040103i | ||
| 145948725 | 166925 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 885 | 20 | 7 | 9 | 6.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL4299615 | 166925 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 885 | 20 | 7 | 9 | 6.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCNCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 57345597 | 70911 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 410 | 5 | 0 | 6 | 4.2 | Cc1nc2ccc(Oc3ccc(F)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956988 | 70911 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 410 | 5 | 0 | 6 | 4.2 | Cc1nc2ccc(Oc3ccc(F)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 56942243 | 124663 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645258 | 124663 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 621 | 12 | 4 | 8 | 3.6 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162648837 | 179248 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 706 | 15 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4745116 | 179248 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 706 | 15 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 127048059 | 139023 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 675 | 16 | 6 | 8 | 4.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797225 | 139023 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 675 | 16 | 6 | 8 | 4.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 11526745 | 68711 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923642 | 68711 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 57400003 | 70920 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 5 | 0 | 7 | 4.7 | Cc1nc2ccc(Oc3ccc(F)c4cccnc34)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956996 | 70920 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 5 | 0 | 7 | 4.7 | Cc1nc2ccc(Oc3ccc(F)c4cccnc34)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 155529391 | 170864 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1427 | 41 | 20 | 17 | -3.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4463042 | 170864 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1427 | 41 | 20 | 17 | -3.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 70690449 | 75503 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 9 | 0 | 5 | 4.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048810 | 75503 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 9 | 0 | 5 | 4.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(OCC(C)C)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 118725965 | 116681 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 4.0 | CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cc(C)ncn4)ccc31)C2 | 10.1021/ml500414n | ||
| CHEMBL3394205 | 116681 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 4.0 | CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cc(C)ncn4)ccc31)C2 | 10.1021/ml500414n | ||
| 44434080 | 89467 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237933 | 89467 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 422 | 11 | 2 | 7 | 2.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 162647450 | 179281 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 536 | 12 | 2 | 6 | 4.6 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4745548 | 179281 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 536 | 12 | 2 | 6 | 4.6 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 71456910 | 81475 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 480 | 5 | 2 | 4 | 3.6 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164823 | 81475 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 480 | 5 | 2 | 4 | 3.6 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 3154005 | 66425 | 4 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 5.7 | CCN(CC)CCCN(C(=O)CCN1CCCc2ccccc21)C(C(=O)NC1CCCCC1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| CHEMBL185887 | 66425 | 4 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 5.7 | CCN(CC)CCCN(C(=O)CCN1CCCc2ccccc21)C(C(=O)NC1CCCCC1)c1ccc(F)cc1 | 10.1021/jm040103i | ||
| 70696689 | 75514 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5cccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048821 | 75514 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5cccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 56926681 | 68694 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2cccc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923624 | 68694 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2cccc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 127047409 | 139088 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 888 | 24 | 8 | 10 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797639 | 139088 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 888 | 24 | 8 | 10 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56926785 | 68703 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923634 | 68703 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.3 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 70688404 | 75499 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1021/ml400473x | ||
| CHEMBL2048807 | 75499 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1021/ml400473x | ||
| 44434009 | 166882 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 13 | 3 | 8 | 1.1 | CCCCNC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL429799 | 166882 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 431 | 13 | 3 | 8 | 1.1 | CCCCNC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 53248756 | 60838 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 457 | 5 | 0 | 5 | 5.6 | Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C)C1 | 10.1016/j.bmc.2011.02.021 | ||
| CHEMBL1765654 | 60838 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 457 | 5 | 0 | 5 | 5.6 | Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C)C1 | 10.1016/j.bmc.2011.02.021 | ||
| CHEMBL2170701 | 207606 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 10253999 | 123263 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 466 | 12 | 2 | 3 | 5.1 | CCC(C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 | 10.1021/jm040103i | ||
| CHEMBL362303 | 123263 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 466 | 12 | 2 | 3 | 5.1 | CCC(C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 | 10.1021/jm040103i | ||
| 127048061 | 139193 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 903 | 24 | 7 | 11 | 5.9 | COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798337 | 139193 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 903 | 24 | 7 | 11 | 5.9 | COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162662593 | 181378 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 591 | 12 | 3 | 7 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N)CC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4780100 | 181378 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 591 | 12 | 3 | 7 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N)CC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44579909 | 186310 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489819 | 186310 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44434073 | 89156 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237507 | 89156 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 70694649 | 75516 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 5 | 0 | 7 | 3.2 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-n3nccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048823 | 75516 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 5 | 0 | 7 | 3.2 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-n3nccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| 162659161 | 180799 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 642 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4763471 | 180799 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 642 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162652815 | 179785 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 564 | 14 | 2 | 6 | 5.3 | CCN(CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4751674 | 179785 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 564 | 14 | 2 | 6 | 5.3 | CCN(CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL2170779 | 207611 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44434008 | 145989 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 404 | 11 | 2 | 9 | 0.7 | COC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392268 | 145989 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 404 | 11 | 2 | 9 | 0.7 | COC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 44434110 | 88070 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 515 | 13 | 3 | 9 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235135 | 88070 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 515 | 13 | 3 | 9 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44577060 | 187459 | 0 | None | -69 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 4.8 | CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
| CHEMBL497746 | 187459 | 0 | None | -69 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 530 | 10 | 1 | 4 | 4.8 | CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmc.2008.03.072 | ||
| CHEMBL2170780 | 207612 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 71453404 | 81477 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164826 | 81477 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)N[C@]2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(Cl)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 70692603 | 75509 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 463 | 7 | 0 | 5 | 5.0 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4nc5ccccc5s4)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048816 | 75509 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 463 | 7 | 0 | 5 | 5.0 | CC(C)COc1ccc(CN2CC3(CCN(C(=O)Cc4nc5ccccc5s4)CC3)C2)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 56926360 | 68678 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923608 | 68678 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 72190451 | 91830 | 0 | None | 524 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL2426680 | 91830 | 0 | None | 524 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 44579907 | 186455 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL491044 | 186455 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 73350846 | 91820 | 0 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426670 | 91820 | 0 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c02191 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.1c02191 | ||||
| 44576247 | 212441 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1016/j.bmcl.2016.04.003 | ||||
| CHEMBL506986 | 212441 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1016/j.bmcl.2016.04.003 | ||||
| 44579880 | 186243 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489401 | 186243 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 3.9 | CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2008.07.120 | ||
| 118725962 | 116678 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 3.1 | COc1cc(C(N)=O)c(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)cn1 | 10.1021/ml500414n | ||
| CHEMBL3394202 | 116678 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 3.1 | COc1cc(C(N)=O)c(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)cn1 | 10.1021/ml500414n | ||
| 44396384 | 67056 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 574 | 14 | 2 | 5 | 6.1 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 | 10.1021/jm040103i | ||
| CHEMBL188839 | 67056 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 574 | 14 | 2 | 5 | 6.1 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 | 10.1021/jm040103i | ||
| 44434074 | 154123 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL399625 | 154123 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 501 | 12 | 3 | 9 | 1.4 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2ccccc2NS(C)(=O)=O)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 70684155 | 75517 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 486 | 5 | 0 | 6 | 4.1 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-c3ncccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048824 | 75517 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 486 | 5 | 0 | 6 | 4.1 | O=C(Cc1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(Cc1ccc(-c3ncccn3)cc1)C2 | 10.1016/j.bmcl.2012.05.024 | ||
| 72191050 | 91817 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 453 | 4 | 0 | 5 | 4.0 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426667 | 91817 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 453 | 4 | 0 | 5 | 4.0 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 72190449 | 91826 | 0 | None | 4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426676 | 91826 | 0 | None | 4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 118725966 | 116682 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 4.6 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(NC(C)=O)c1 | 10.1021/ml500414n | ||
| CHEMBL3394206 | 116682 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 4.6 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(NC(C)=O)c1 | 10.1021/ml500414n | ||
| 162675268 | 182766 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 645 | 13 | 3 | 8 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2(C#N)CCOCC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4797685 | 182766 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 645 | 13 | 3 | 8 | 4.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2(C#N)CCOCC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 3153999 | 126297 | 3 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 494 | 14 | 2 | 3 | 5.9 | CCCCC(C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 | 10.1021/jm040103i | ||
| CHEMBL365489 | 126297 | 3 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 494 | 14 | 2 | 3 | 5.9 | CCCCC(C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 | 10.1021/jm040103i | ||
| 71451551 | 81425 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 5 | 2 | 4 | 3.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(C)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164508 | 81425 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 460 | 5 | 2 | 4 | 3.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)c(C)cc32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 72190451 | 91830 | 0 | None | 524 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426680 | 91830 | 0 | None | 524 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 72190451 | 91830 | 0 | None | 524 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL2426680 | 91830 | 0 | None | 524 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 9950632 | 88264 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236038 | 88264 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 357 | 9 | 2 | 8 | 0.7 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| 127046472 | 139151 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL3798056 | 139151 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 902 | 24 | 8 | 10 | 5.6 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| 127045859 | 139156 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 831 | 20 | 7 | 9 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CO)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| CHEMBL3798095 | 139156 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 831 | 20 | 7 | 9 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CO)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1021/acs.jmedchem.1c02191 | ||
| 127045859 | 139156 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 831 | 20 | 7 | 9 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CO)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798095 | 139156 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 831 | 20 | 7 | 9 | 5.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)CO)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127047523 | 139520 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 859 | 20 | 7 | 9 | 6.0 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3800422 | 139520 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 859 | 20 | 7 | 9 | 6.0 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 71456897 | 81424 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 513 | 5 | 2 | 3 | 5.7 | CCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164507 | 81424 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 513 | 5 | 2 | 3 | 5.7 | CCN1CCC(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 162653916 | 179953 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 707 | 15 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4753794 | 179953 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 707 | 15 | 3 | 8 | 6.1 | COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162643920 | 181188 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 679 | 14 | 4 | 8 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4777792 | 181188 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 679 | 14 | 4 | 8 | 5.4 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 155537651 | 171740 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1597 | 47 | 22 | 19 | -3.8 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4475293 | 171740 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1597 | 47 | 22 | 19 | -3.8 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 57391292 | 70919 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 8 | 4.6 | COc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C(C)C)C5)c(=O)c4n3)c2n1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956995 | 70919 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 473 | 6 | 0 | 8 | 4.6 | COc1ccc2cccc(Oc3ccc4nc(C)n(C[C@H]5CCCN(C(C)C)C5)c(=O)c4n3)c2n1 | 10.1016/j.bmcl.2012.01.078 | ||
| 57345598 | 70928 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 411 | 5 | 0 | 7 | 3.5 | Cc1nc2ncc(Oc3ccc(F)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957004 | 70928 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 411 | 5 | 0 | 7 | 3.5 | Cc1nc2ncc(Oc3ccc(F)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 53373577 | 91836 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 0 | 7 | 2.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426686 | 91836 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 0 | 7 | 2.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 57391294 | 70922 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 5 | 0 | 6 | 4.2 | Cc1nc2cnc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956998 | 70922 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 410 | 5 | 0 | 6 | 4.2 | Cc1nc2cnc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 155526063 | 170459 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1174 | 34 | 16 | 14 | -2.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4456830 | 170459 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1174 | 34 | 16 | 14 | -2.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 162663004 | 181457 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 603 | 13 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C)(C)C#N)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4781141 | 181457 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 603 | 13 | 3 | 7 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C(C)(C)C#N)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 155557019 | 174005 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4556887 | 174005 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1598 | 47 | 22 | 19 | -3.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.8b01644 | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/acs.jmedchem.8b01644 | ||||
| 67405379 | 91833 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426683 | 91833 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 25211977 | 186309 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489818 | 186309 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 25098836 | 190852 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL519322 | 190852 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 127047525 | 139224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 858 | 20 | 7 | 9 | 5.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798559 | 139224 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 858 | 20 | 7 | 9 | 5.9 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162653309 | 179881 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 718 | 14 | 5 | 8 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4752936 | 179881 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 718 | 14 | 5 | 8 | 5.9 | COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44579756 | 186231 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL489370 | 186231 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 372 | 7 | 1 | 3 | 3.9 | CC(Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1)C[C@H]1CCCN1 | 10.1016/j.bmcl.2008.07.120 | ||
| 162666964 | 181918 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 536 | 13 | 3 | 6 | 4.6 | CCNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4787023 | 181918 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 536 | 13 | 3 | 6 | 4.6 | CCNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL2170693 | 207598 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 44434121 | 89464 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 385 | 11 | 2 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237927 | 89464 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 385 | 11 | 2 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCC#N | 10.1016/j.bmcl.2007.07.099 | ||
| 56926584 | 68690 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 554 | 4 | 3 | 5 | 3.2 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923620 | 68690 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 554 | 4 | 3 | 5 | 3.2 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 44434120 | 89463 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 15 | 3 | 9 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNC(=O)OCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237926 | 89463 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 523 | 15 | 3 | 9 | 2.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNC(=O)OCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 44434007 | 88133 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 390 | 10 | 2 | 9 | 0.3 | COC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235446 | 88133 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 390 | 10 | 2 | 9 | 0.3 | COC(=O)CCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 11541143 | 68688 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 540 | 4 | 3 | 5 | 3.0 | CCC[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923618 | 68688 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 540 | 4 | 3 | 5 | 3.0 | CCC[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 24969520 | 68692 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 520 | 3 | 3 | 5 | 2.5 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923622 | 68692 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 520 | 3 | 3 | 5 | 2.5 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL2170694 | 207599 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 56926580 | 68684 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 536 | 5 | 4 | 5 | 3.1 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC)NC1=O | 10.1021/jm2007062 | ||
| CHEMBL1923614 | 68684 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 536 | 5 | 4 | 5 | 3.1 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC)NC1=O | 10.1021/jm2007062 | ||
| 162653802 | 179939 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 656 | 15 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CCc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4753592 | 179939 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 656 | 15 | 4 | 7 | 5.5 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CCc2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 73346226 | 91818 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 487 | 8 | 0 | 7 | 3.4 | COCC(c1ccc(-c2ncccn2)cc1)N1CC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426668 | 91818 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 487 | 8 | 0 | 7 | 3.4 | COCC(c1ccc(-c2ncccn2)cc1)N1CC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 | 10.1016/j.bmcl.2013.07.044 | ||
| 162674738 | 182795 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 14 | 3 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4797988 | 182795 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 638 | 14 | 3 | 6 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 56926177 | 68658 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923506 | 68658 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 56926581 | 68685 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 550 | 5 | 4 | 5 | 3.4 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC1=O | 10.1021/jm2007062 | ||
| CHEMBL1923615 | 68685 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 550 | 5 | 4 | 5 | 3.4 | CC[C@H](C)[C@@H]1NC[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC1=O | 10.1021/jm2007062 | ||
| 71458747 | 81412 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164494 | 81412 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 4 | 2 | 4 | 2.9 | Cc1cc2c(cc1Cl)NC(=O)C2(NC(=O)CN1CCN(C)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmc.2012.07.018 | ||
| 23631116 | 4037 | 19 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 409 | 5 | 0 | 5 | 4.8 | Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C | 10.1016/j.bmcl.2012.01.078 | ||
| 3538 | 4037 | 19 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 409 | 5 | 0 | 5 | 4.8 | Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL243001 | 4037 | 19 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 409 | 5 | 0 | 5 | 4.8 | Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C | 10.1016/j.bmcl.2012.01.078 | ||
| 127046956 | 139414 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 631 | 12 | 3 | 7 | 5.5 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799776 | 139414 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 631 | 12 | 3 | 7 | 5.5 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 118725961 | 116676 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 523 | 6 | 0 | 7 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C#N)c1 | 10.1021/ml500414n | ||
| CHEMBL3394200 | 116676 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 523 | 6 | 0 | 7 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C#N)c1 | 10.1021/ml500414n | ||
| 162663407 | 181438 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 562 | 13 | 3 | 6 | 4.3 | C=CC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4780843 | 181438 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 562 | 13 | 3 | 6 | 4.3 | C=CC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 56926462 | 68680 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923610 | 68680 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 506 | 3 | 3 | 5 | 2.1 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 70695747 | 72829 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| CHEMBL2011816 | 72829 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 540 | 8 | 2 | 5 | 4.7 | CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O | 10.1016/j.bmcl.2012.01.014 | ||
| 67406334 | 111229 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 498 | 4 | 0 | 7 | 4.3 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ncccn6)ccc53)C4)nc2s1 | 10.1021/ml400473x | ||
| CHEMBL3287213 | 111229 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 498 | 4 | 0 | 7 | 4.3 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ncccn6)ccc53)C4)nc2s1 | 10.1021/ml400473x | ||
| 57390496 | 68698 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| CHEMBL1923628 | 68698 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| 71453489 | 207613 | 13 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| CHEMBL2170781 | 207613 | 13 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O | 10.1021/jm300414b | ||||
| 56926269 | 68661 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 460 | 5 | 3 | 5 | 2.0 | CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O | 10.1021/jm2007062 | ||
| CHEMBL1923511 | 68661 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 460 | 5 | 3 | 5 | 2.0 | CCCC[C@H]1NC(=O)CN(C)C(=O)[C@H](CCC)NCCOc2ccccc2CCCNC1=O | 10.1021/jm2007062 | ||
| 56926784 | 68702 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923633 | 68702 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 506 | 4 | 3 | 4 | 2.9 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 70688404 | 75499 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1021/ml400473x | ||
| CHEMBL2048807 | 75499 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1021/ml400473x | ||
| 70688404 | 75499 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048807 | 75499 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 464 | 6 | 0 | 5 | 4.3 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc4c(c2)CCC(C)(C)O4)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 44434123 | 145005 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 343 | 8 | 2 | 8 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC#N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL391510 | 145005 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 343 | 8 | 2 | 8 | 0.3 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CC#N | 10.1016/j.bmcl.2007.07.099 | ||
| 56926582 | 68686 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923616 | 68686 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 5 | 3 | 5 | 3.1 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 16114404 | 154346 | 18 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 11 | 3 | 6 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL400814 | 154346 | 18 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 508 | 11 | 3 | 6 | 4.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 25190383 | 81483 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164831 | 81483 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 4 | 2 | 4 | 3.2 | CN1CCN(CC(=O)NC2(c3ccc(Cl)cc3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 11683187 | 198240 | 35 | None | -457 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL594828 | 198240 | 35 | None | -457 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 70684154 | 75501 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 3.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048809 | 75501 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 414 | 6 | 0 | 4 | 3.9 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccccc2Cl)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 44434055 | 88861 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236858 | 88861 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 487 | 11 | 3 | 9 | 1.2 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1Cc1ccccc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 56942385 | 124665 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645260 | 124665 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 618 | 13 | 5 | 7 | 4.5 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942535 | 139218 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 593 | 12 | 4 | 7 | 4.4 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798525 | 139218 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 593 | 12 | 4 | 7 | 4.4 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 24180592 | 96552 | 0 | None | -134 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | ||
| CHEMBL266647 | 96552 | 0 | None | -134 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 560 | 11 | 1 | 4 | 5.7 | CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 | 10.1021/jm701137s | ||
| 44434113 | 88207 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 10 | 2 | 9 | 1.5 | COC(=O)C(c1ccccc1)n1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235793 | 88207 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 452 | 10 | 2 | 9 | 1.5 | COC(=O)C(c1ccccc1)n1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N | 10.1016/j.bmcl.2007.07.099 | ||
| 44434051 | 88971 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237058 | 88971 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 394 | 9 | 2 | 7 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(Cc2ccccc2)n1 | 10.1016/j.bmcl.2007.07.099 | ||
| 118725954 | 116672 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 4 | 0 | 5 | 4.3 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml500414n | ||
| CHEMBL3394193 | 116672 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 467 | 4 | 0 | 5 | 4.3 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)nc1 | 10.1021/ml500414n | ||
| 24969603 | 68697 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 3 | 3 | 5 | 2.4 | Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1 | 10.1021/jm2007062 | ||
| CHEMBL1923627 | 68697 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 520 | 3 | 3 | 5 | 2.4 | Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1 | 10.1021/jm2007062 | ||
| 57394882 | 70935 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 5 | 0 | 9 | 3.3 | Cc1nc2ncc(Oc3ccc4c(c3)ncn4C)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957011 | 70935 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 447 | 5 | 0 | 9 | 3.3 | Cc1nc2ncc(Oc3ccc4c(c3)ncn4C)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 9876514 | 9037 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 610 | 10 | 2 | 7 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 | 10.1016/s0960-894x(02)00734-5 | ||
| CHEMBL109980 | 9037 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 610 | 10 | 2 | 7 | 2.3 | CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 | 10.1016/s0960-894x(02)00734-5 | ||
| 70682037 | 75513 | 14 | None | 43 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2048820 | 75513 | 14 | None | 43 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2013.07.044 | ||
| 145948708 | 166924 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 886 | 20 | 7 | 10 | 5.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CNCCO3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL4299606 | 166924 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 886 | 20 | 7 | 10 | 5.2 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CNCCO3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(C)=O)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 67410074 | 111232 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL3287216 | 111232 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5nccc(C)n5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 56926465 | 68683 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 4 | 4 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | 10.1021/jm2007062 | ||
| CHEMBL1923613 | 68683 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 494 | 4 | 4 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O | 10.1021/jm2007062 | ||
| 44434119 | 89462 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 10 | 3 | 10 | -0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1nnn[nH]1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL237925 | 89462 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 400 | 10 | 3 | 10 | -0.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1nnn[nH]1 | 10.1016/j.bmcl.2007.07.099 | ||
| 70694648 | 75504 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 7 | 0 | 7 | 3.6 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048811 | 75504 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 7 | 0 | 7 | 3.6 | COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4nnc(C)o4)cc2)C3)cc1 | 10.1016/j.bmcl.2012.05.024 | ||
| 155561671 | 175081 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 817 | 22 | 11 | 9 | -0.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4581511 | 175081 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 817 | 22 | 11 | 9 | -0.5 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 56926894 | 68707 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923638 | 68707 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | C[C@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 | 10.1021/jm2007062 | ||
| 162672372 | 182494 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 656 | 14 | 3 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C=C/c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4794448 | 182494 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 656 | 14 | 3 | 6 | 6.0 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C=C/c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 56925345 | 68712 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923643 | 68712 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 542 | 3 | 3 | 5 | 2.3 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 56926464 | 68682 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923612 | 68682 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 508 | 4 | 3 | 5 | 2.5 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 56942387 | 139119 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 579 | 13 | 4 | 7 | 4.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3797857 | 139119 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 579 | 13 | 4 | 7 | 4.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL105462 | 206716 | 34 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm960054c | ||||
| 56926680 | 68693 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923623 | 68693 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 162649014 | 179351 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 702 | 14 | 4 | 7 | 6.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4746362 | 179351 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 702 | 14 | 4 | 7 | 6.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162666112 | 181722 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccc(C#N)nc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4784240 | 181722 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 638 | 13 | 3 | 8 | 4.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccc(C#N)nc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 162676229 | 182712 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 715 | 15 | 3 | 10 | 3.9 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4797064 | 182712 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 715 | 15 | 3 | 10 | 3.9 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 58438475 | 91827 | 0 | None | 1548 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426677 | 91827 | 0 | None | 1548 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 58438475 | 91827 | 0 | None | 1548 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml400473x | ||
| CHEMBL2426677 | 91827 | 0 | None | 1548 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml400473x | ||
| 56926461 | 68679 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923609 | 68679 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 522 | 4 | 3 | 5 | 2.7 | CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 118725956 | 116673 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 5 | 0 | 5 | 4.9 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4ccc(C5CC5)cn4)CC3)C2)ncn1 | 10.1021/ml500414n | ||
| CHEMBL3394195 | 116673 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 5 | 0 | 5 | 4.9 | Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4ccc(C5CC5)cn4)CC3)C2)ncn1 | 10.1021/ml500414n | ||
| 155551597 | 173367 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 974 | 27 | 13 | 11 | -1.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| CHEMBL4541252 | 173367 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 974 | 27 | 13 | 11 | -1.2 | CCCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O | 10.1021/acs.jmedchem.8b01644 | ||
| 57394797 | 70926 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 5 | 0 | 7 | 4.7 | Cc1nc2cnc(Oc3ccc(F)c4cccnc34)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1957002 | 70926 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 5 | 0 | 7 | 4.7 | Cc1nc2cnc(Oc3ccc(F)c4cccnc34)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 162649450 | 179464 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 725 | 14 | 3 | 10 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4747770 | 179464 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 725 | 14 | 3 | 10 | 5.2 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 58438464 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| 9060 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| CHEMBL3287218 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| DB14870 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| 58438464 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| 9060 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| CHEMBL3287218 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| DB14870 | 3004 | 28 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 10.1021/ml400473x | ||
| 67406334 | 111229 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 498 | 4 | 0 | 7 | 4.3 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ncccn6)ccc53)C4)nc2s1 | 10.1021/ml400473x | ||
| CHEMBL3287213 | 111229 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 498 | 4 | 0 | 7 | 4.3 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN([C@@H]3CCc5cc(-c6ncccn6)ccc53)C4)nc2s1 | 10.1021/ml400473x | ||
| 57401798 | 70912 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 5 | 0 | 6 | 4.2 | Cc1nc2ncc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| CHEMBL1956989 | 70912 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 410 | 5 | 0 | 6 | 4.2 | Cc1nc2ncc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 | 10.1016/j.bmcl.2012.01.078 | ||
| 58438475 | 91827 | 0 | None | 1548 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml500414n | ||
| CHEMBL2426677 | 91827 | 0 | None | 1548 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1021/ml500414n | ||
| 11541319 | 68713 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 3 | 3 | 5 | 2.7 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2O1 | 10.1021/jm2007062 | ||
| CHEMBL1923644 | 68713 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 556 | 3 | 3 | 5 | 2.7 | C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2O1 | 10.1021/jm2007062 | ||
| 162659375 | 180759 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 566 | 14 | 4 | 7 | 3.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCC(=O)O)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4763077 | 180759 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 566 | 14 | 4 | 7 | 3.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNCC(=O)O)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 127046807 | 139397 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799671 | 139397 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127047654 | 139434 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799883 | 139434 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 571 | 11 | 3 | 7 | 5.2 | COc1ccc(Cn2c([C@@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 121879 | 2195 | 19 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm960054c | ||
| 5868 | 2195 | 19 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm960054c | ||
| CHEMBL308716 | 2195 | 19 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 7 | 3 | 6 | 3.6 | O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2 | 10.1021/jm960054c | ||
| 162665952 | 181787 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 688 | 14 | 4 | 10 | 3.5 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4785149 | 181787 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 688 | 14 | 4 | 10 | 3.5 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 134139753 | 145491 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| CHEMBL3918783 | 145491 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 3 | 5 | 2.5 | CCCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | nan | ||
| 162663868 | 181396 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 672 | 14 | 3 | 9 | 3.8 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4780408 | 181396 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 672 | 14 | 3 | 9 | 3.8 | COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 56926268 | 68660 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 542 | 4 | 3 | 5 | 2.5 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](Cc2ccccc2)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923510 | 68660 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 542 | 4 | 3 | 5 | 2.5 | CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](Cc2ccccc2)C1=O | 10.1021/jm2007062 | ||
| 56926175 | 68656 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923504 | 68656 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 494 | 4 | 3 | 5 | 2.1 | CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 23635235 | 165937 | 0 | None | -239 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | ||
| CHEMBL427860 | 165937 | 0 | None | -239 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 526 | 10 | 1 | 4 | 4.9 | Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1 | 10.1016/j.bmc.2008.03.072 | ||
| 70686292 | 75512 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 461 | 5 | 0 | 8 | 3.0 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048819 | 75512 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 461 | 5 | 0 | 8 | 3.0 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 90644554 | 111231 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ccncn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL3287215 | 111231 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ccncn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 70682037 | 75513 | 14 | None | 43 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| CHEMBL2048820 | 75513 | 14 | None | 43 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2012.05.024 | ||
| 11664206 | 68696 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923626 | 68696 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 574 | 3 | 3 | 5 | 3.1 | C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 216208 | 9620 | 27 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1016/s0960-894x(02)00734-5 | ||
| CHEMBL113313 | 9620 | 27 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 505 | 9 | 2 | 6 | 1.7 | CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O | 10.1016/s0960-894x(02)00734-5 | ||
| 56926682 | 68695 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| CHEMBL1923625 | 68695 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 3 | 3 | 5 | 2.2 | C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C | 10.1021/jm2007062 | ||
| 67408128 | 91834 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426684 | 91834 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 457 | 5 | 0 | 6 | 3.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 24180646 | 147638 | 0 | None | -1023 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | ||
| CHEMBL393576 | 147638 | 0 | None | -1023 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 591 | 11 | 2 | 5 | 4.7 | CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 | 10.1021/jm701137s | ||
| 57390496 | 68698 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| CHEMBL1923628 | 68698 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 552 | 3 | 3 | 5 | 2.9 | Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F | 10.1021/jm2007062 | ||
| CHEMBL501261 | 212354 | 19 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.8b01644 | ||||
| 56926892 | 68705 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923636 | 68705 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 4 | 3 | 4 | 3.7 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 44434012 | 88631 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 479 | 13 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL236513 | 88631 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 479 | 13 | 3 | 8 | 1.5 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 127046473 | 139237 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 661 | 17 | 6 | 8 | 4.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3798645 | 139237 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 661 | 17 | 6 | 8 | 4.2 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 56942099 | 124661 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645256 | 124661 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 599 | 13 | 3 | 7 | 5.0 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 66601728 | 81415 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 5 | 2 | 4 | 4.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| CHEMBL2164499 | 81415 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 5 | 2 | 4 | 4.3 | CCN1CCN(CC(=O)NC2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1 | 10.1016/j.bmc.2012.07.018 | ||
| 162657465 | 180449 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4759418 | 180449 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 14 | 4 | 7 | 5.1 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc[nH]2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 56926891 | 68704 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923635 | 68704 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 520 | 4 | 3 | 4 | 3.3 | CC[C@H](C)[C@@H]1NCCCc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O | 10.1021/jm2007062 | ||
| 44434015 | 88049 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 493 | 14 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL235011 | 88049 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 493 | 14 | 3 | 8 | 1.9 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC(=O)NCCCc1ccccc1 | 10.1016/j.bmcl.2007.07.099 | ||
| 67407808 | 91837 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncc(C)cn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL2426687 | 91837 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncc(C)cn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 56926173 | 68655 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| CHEMBL1923501 | 68655 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 492 | 4 | 3 | 5 | 2.2 | CCC[C@@H]1NCCOc2ccccc2/C=C/CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O | 10.1021/jm2007062 | ||
| 3153998 | 67166 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 13 | 2 | 3 | 5.5 | CCCC(C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 | 10.1021/jm040103i | ||
| CHEMBL189561 | 67166 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 13 | 2 | 3 | 5.5 | CCCC(C(=O)NC1CCCCC1)N(CCCN(CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 | 10.1021/jm040103i | ||
| 56926893 | 68706 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | 10.1021/jm2007062 | ||
| CHEMBL1923637 | 68706 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 538 | 3 | 3 | 5 | 2.6 | CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1 | 10.1021/jm2007062 | ||
| 66788278 | 124659 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3645254 | 124659 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 652 | 12 | 4 | 7 | 5.8 | COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 127045858 | 139319 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 618 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| CHEMBL3799225 | 139319 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 618 | 12 | 3 | 7 | 5.3 | COc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(C)=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1 | 10.1016/j.bmcl.2016.04.003 | ||
| 162677268 | 182981 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 663 | 14 | 3 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4800459 | 182981 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 663 | 14 | 3 | 7 | 5.7 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 58438487 | 91835 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 497 | 6 | 0 | 6 | 4.3 | CCc1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4ccc(OC)cn4)CC3)C2)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426685 | 91835 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 497 | 6 | 0 | 6 | 4.3 | CCc1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4ccc(OC)cn4)CC3)C2)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 67407808 | 91837 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncc(C)cn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426687 | 91837 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncc(C)cn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 67407808 | 91837 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncc(C)cn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| CHEMBL2426687 | 91837 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 483 | 5 | 0 | 6 | 4.0 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncc(C)cn5)ccc42)C3)nc1 | 10.1021/ml400473x | ||
| 67406727 | 116677 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| CHEMBL3394201 | 116677 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 525 | 6 | 1 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5cc(C)ncn5)ccc42)C3)c(C(N)=O)c1 | 10.1021/ml500414n | ||
| 162656896 | 180268 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 669 | 14 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2cccs2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4757313 | 180268 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 669 | 14 | 3 | 8 | 5.8 | COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2cccs2)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44579823 | 183489 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| CHEMBL482420 | 183489 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 386 | 7 | 1 | 3 | 4.2 | Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)C(C)Oc1cccc(Cl)c1 | 10.1016/j.bmcl.2008.07.120 | ||
| 44396320 | 66468 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 515 | 12 | 2 | 4 | 5.4 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccncc1 | 10.1021/jm040103i | ||
| CHEMBL186045 | 66468 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 515 | 12 | 2 | 4 | 5.4 | CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccncc1 | 10.1021/jm040103i | ||
| 162674996 | 182797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 522 | 12 | 3 | 6 | 4.2 | CNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| CHEMBL4798018 | 182797 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 522 | 12 | 3 | 6 | 4.2 | CNCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1 | 10.1021/acs.jmedchem.9b02122 | ||
| 44434111 | 145738 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1cc2ccccc2n1S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| CHEMBL392077 | 145738 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 525 | 11 | 2 | 10 | 1.8 | CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCc1cc2ccccc2n1S(C)(=O)=O | 10.1016/j.bmcl.2007.07.099 | ||
| 9745 | 2410 | 20 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | None | ||
| 9804938 | 2410 | 20 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | None | ||
| CHEMBL278623 | 2410 | 20 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | None | ||
| DB13074 | 2410 | 20 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | None | ||
| 9745 | 2410 | 20 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | Guide to Pharmacology | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 12240910 | ||
| 9804938 | 2410 | 20 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | Guide to Pharmacology | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 12240910 | ||
| CHEMBL278623 | 2410 | 20 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | Guide to Pharmacology | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 12240910 | ||
| DB13074 | 2410 | 20 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | Guide to Pharmacology | 474 | 10 | 6 | 4 | 1.8 | O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2 | 12240910 | ||
| 1102 | 1289 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 12907757 | ||||
| 1093 | 1756 | 0 | None | -12 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 1093 | 1756 | 0 | None | -12 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 4345065 | 1756 | 0 | None | -12 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 4345065 | 1756 | 0 | None | -12 | 2 | Human | 7.7 | pKd | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 1100 | 1572 | 41 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11061542 | ||||
| 6918297 | 1572 | 41 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11061542 | ||||
| CHEMBL108335 | 1572 | 41 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11061542 | ||||
| 1099 | 1749 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12907757 | ||||
| 1099 | 1749 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 15905359 | ||||
| 1092 | 3097 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 134715446 | 3097 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 2232 | 3097 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 6918245 | 3097 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL106593 | 3097 | 0 | None | - | 1 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | None | None | None | None | None | ||||
| 58438464 | 3004 | 28 | None | -2 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| 9060 | 3004 | 28 | None | -2 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| CHEMBL3287218 | 3004 | 28 | None | -2 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| DB14870 | 3004 | 28 | None | -2 | 3 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| 58438464 | 3004 | 28 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| 9060 | 3004 | 28 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| CHEMBL3287218 | 3004 | 28 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| DB14870 | 3004 | 28 | None | -1 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| 58438464 | 3004 | 28 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| 9060 | 3004 | 28 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| CHEMBL3287218 | 3004 | 28 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| DB14870 | 3004 | 28 | None | 1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 512 | 4 | 0 | 7 | 4.6 | Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C | 26784385 | ||
| 12413 | 3009 | 0 | None | -3 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 528 | 4 | 1 | 8 | 4.3 | CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]5CCC6=CC(=CC=C56)C7=CC(C)=NC(O)=N7)CC3)N=C2S1 | 36631279 | ||
| 164946906 | 3009 | 0 | None | -3 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 528 | 4 | 1 | 8 | 4.3 | CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]5CCC6=CC(=CC=C56)C7=CC(C)=NC(O)=N7)CC3)N=C2S1 | 36631279 | ||
| 12413 | 3009 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 528 | 4 | 1 | 8 | 4.3 | CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]5CCC6=CC(=CC=C56)C7=CC(C)=NC(O)=N7)CC3)N=C2S1 | 36631279 | ||
| 164946906 | 3009 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 528 | 4 | 1 | 8 | 4.3 | CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]5CCC6=CC(=CC=C56)C7=CC(C)=NC(O)=N7)CC3)N=C2S1 | 36631279 | ||
| 23631116 | 4037 | 19 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 409 | 5 | 0 | 5 | 4.8 | Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C | 17656463 | ||
| 3538 | 4037 | 19 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 409 | 5 | 0 | 5 | 4.8 | Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C | 17656463 | ||
| CHEMBL243001 | 4037 | 19 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 409 | 5 | 0 | 5 | 4.8 | Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C | 17656463 | ||
| 1098 | 1359 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11314756 | ||||
| 1098 | 1359 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 14763915 | ||||
| 1101 | 650 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 15339248 | ||||
| 10740 | 1899 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 401 | 4 | 1 | 3 | 4.4 | COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C | 25327342 | ||
| 146170991 | 1899 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 401 | 4 | 1 | 3 | 4.4 | COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C | 25327342 | ||
| 1092 | 3097 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 134715446 | 3097 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 2232 | 3097 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 6918245 | 3097 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| CHEMBL106593 | 3097 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 178024 | 1932 | 30 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10427162 | ||
| 5867 | 1932 | 30 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10427162 | ||
| CHEMBL13817 | 1932 | 30 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | 528 | 8 | 2 | 6 | 1.8 | O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C | 10427162 | ||
| 1099 | 1749 | 0 | None | - | 1 | Human | 8.0 | pKi | None | 8.0 | Binding | Guide to Pharmacology | None | None | None | None | 11314756 | ||||
| 1093 | 1756 | 0 | None | 12 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||
| 4345065 | 1756 | 0 | None | 12 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9092793 | ||||