Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
168293367 | 192079 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5202805 | 192079 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168293367 | 192079 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5202805 | 192079 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168287780 | 191823 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5198736 | 191823 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168287780 | 191823 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5198736 | 191823 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168275621 | 190616 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5180950 | 190616 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168275621 | 190616 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5180950 | 190616 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168297615 | 192280 | 0 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5205892 | 192280 | 0 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168297615 | 192280 | 0 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5205892 | 192280 | 0 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
6402927 | 185809 | 10 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 390 | 4 | 2 | 5 | 4.0 | Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O | nan | ||
CHEMBL4867042 | 185809 | 10 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 390 | 4 | 2 | 5 | 4.0 | Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O | nan | ||
6402927 | 185809 | 10 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 390 | 4 | 2 | 5 | 4.0 | Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O | nan | ||
CHEMBL4867042 | 185809 | 10 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 390 | 4 | 2 | 5 | 4.0 | Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O | nan | ||
155088299 | 184446 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 4.8 | CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4846490 | 184446 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 385 | 4 | 1 | 4 | 4.8 | CCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
155088352 | 184691 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 419 | 3 | 1 | 4 | 5.8 | O=C1CCCC2=C1C(c1ccc(Oc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4850089 | 184691 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 419 | 3 | 1 | 4 | 5.8 | O=C1CCCC2=C1C(c1ccc(Oc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
155088338 | 184818 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 411 | 3 | 1 | 4 | 5.3 | O=C1CCCC2=C1C(c1ccc(OC3CCCC3)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4851923 | 184818 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 411 | 3 | 1 | 4 | 5.3 | O=C1CCCC2=C1C(c1ccc(OC3CCCC3)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
3748676 | 185220 | 7 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4857874 | 185220 | 7 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
5302144 | 185645 | 10 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.4 | CCOC(=O)N1CCN(c2cc(N3CCCCC3C)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4864529 | 185645 | 10 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.4 | CCOC(=O)N1CCN(c2cc(N3CCCCC3C)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2885562 | 184396 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 476 | 5 | 0 | 6 | 3.8 | Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCC(C)CC4)c(F)cc3[N+](=O)[O-])CC2)cc1 | nan | ||
CHEMBL4845840 | 184396 | 9 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 476 | 5 | 0 | 6 | 3.8 | Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCC(C)CC4)c(F)cc3[N+](=O)[O-])CC2)cc1 | nan | ||
155088353 | 184541 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 2 | 1 | 4 | 4.9 | O=C1CCCC2=C1C(c1ccc(OC(F)(F)F)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4847974 | 184541 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 2 | 1 | 4 | 4.9 | O=C1CCCC2=C1C(c1ccc(OC(F)(F)F)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
155088328 | 184681 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 399 | 5 | 1 | 4 | 5.2 | CCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4849977 | 184681 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 399 | 5 | 1 | 4 | 5.2 | CCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
155088354 | 184760 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 383 | 4 | 1 | 4 | 4.6 | C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4851035 | 184760 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 383 | 4 | 1 | 4 | 4.6 | C=CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
3147417 | 185239 | 12 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 369 | 2 | 1 | 3 | 5.1 | CC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4858201 | 185239 | 12 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 369 | 2 | 1 | 3 | 5.1 | CC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
155088335 | 185725 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 393 | 3 | 1 | 4 | 4.6 | O=C1CCCC2=C1C(c1ccc(OC(F)F)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4865805 | 185725 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 393 | 3 | 1 | 4 | 4.6 | O=C1CCCC2=C1C(c1ccc(OC(F)F)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
168293524 | 192081 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 664 | 25 | 5 | 8 | 5.0 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccccc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5202832 | 192081 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 664 | 25 | 5 | 8 | 5.0 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccccc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168293524 | 192081 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 664 | 25 | 5 | 8 | 5.0 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccccc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5202832 | 192081 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 664 | 25 | 5 | 8 | 5.0 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccccc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
155088332 | 186158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 399 | 2 | 1 | 4 | 5.2 | CC(C)(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4872392 | 186158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 399 | 2 | 1 | 4 | 5.2 | CC(C)(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
2877723 | 185559 | 8 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 412 | 4 | 0 | 5 | 3.7 | O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4863268 | 185559 | 8 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 412 | 4 | 0 | 5 | 3.7 | O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2885631 | 185907 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 5 | 0 | 6 | 3.2 | O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 | nan | ||
CHEMBL4868780 | 185907 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 448 | 5 | 0 | 6 | 3.2 | O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 | nan | ||
155088333 | 185466 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 371 | 3 | 1 | 4 | 4.4 | CCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1 | nan | ||
CHEMBL4861908 | 185466 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 371 | 3 | 1 | 4 | 4.4 | CCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1 | nan | ||
2885410 | 184735 | 9 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)c(F)cc3[N+](=O)[O-])CC2)cc1 | nan | ||
CHEMBL4850690 | 184735 | 9 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)c(F)cc3[N+](=O)[O-])CC2)cc1 | nan | ||
2885277 | 184765 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4851095 | 184765 | 9 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
155088300 | 185446 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 356 | 2 | 1 | 4 | 3.9 | CCc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cn1 | nan | ||
CHEMBL4861624 | 185446 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 356 | 2 | 1 | 4 | 3.9 | CCc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cn1 | nan | ||
168283306 | 191286 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 670 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C2CCCCC2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5190748 | 191286 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 670 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C2CCCCC2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168283306 | 191286 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 670 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C2CCCCC2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5190748 | 191286 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 670 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C2CCCCC2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
2950563 | 184568 | 16 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 5.7 | O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4848484 | 184568 | 16 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 5.7 | O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
155088351 | 184481 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 385 | 1 | 1 | 5 | 3.8 | O=C1CCCC2=C1C(c1ccc3c(c1)OCCO3)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4847042 | 184481 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 385 | 1 | 1 | 5 | 3.8 | O=C1CCCC2=C1C(c1ccc3c(c1)OCCO3)C1=C(N2)c2ccccc2C1=O | nan | ||
4748510 | 184779 | 2 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 372 | 2 | 1 | 5 | 3.9 | O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4851315 | 184779 | 2 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 372 | 2 | 1 | 5 | 3.9 | O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
155088341 | 185528 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 409 | 2 | 1 | 6 | 4.3 | Cc1nnc(-c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)c3ccccc34)cc2)o1 | nan | ||
CHEMBL4862776 | 185528 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 409 | 2 | 1 | 6 | 4.3 | Cc1nnc(-c2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)c3ccccc34)cc2)o1 | nan | ||
2881247 | 185023 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 6 | 4.0 | CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4855006 | 185023 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 6 | 4.0 | CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
2881247 | 185023 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 6 | 4.0 | CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4855006 | 185023 | 13 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 4 | 0 | 6 | 4.0 | CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
2877190 | 184694 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 380 | 4 | 0 | 6 | 3.0 | CCOC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4850132 | 184694 | 9 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 380 | 4 | 0 | 6 | 3.0 | CCOC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2877723 | 185559 | 8 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 0 | 5 | 3.7 | O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4863268 | 185559 | 8 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 412 | 4 | 0 | 5 | 3.7 | O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
3771554 | 185813 | 11 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 350 | 3 | 0 | 5 | 2.4 | CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4867113 | 185813 | 11 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 350 | 3 | 0 | 5 | 2.4 | CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
4139908 | 184488 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 361 | 1 | 1 | 3 | 4.6 | O=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4847159 | 184488 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 361 | 1 | 1 | 3 | 4.6 | O=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
4918124 | 184933 | 10 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 406 | 3 | 0 | 5 | 3.8 | CC1CCCCN1c1cc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1F | nan | ||
CHEMBL4853543 | 184933 | 10 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 406 | 3 | 0 | 5 | 3.8 | CC1CCCCN1c1cc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1F | nan | ||
9547099 | 60286 | 2 | None | -1 | 6 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL1742484 | 60286 | 2 | None | -1 | 6 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/acs.jmedchem.1c00347 | ||
122177592 | 121195 | 0 | None | -1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL3577265 | 121195 | 0 | None | -1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
155088331 | 185404 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 2 | 1 | 5 | 3.4 | CS(=O)(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4861013 | 185404 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 405 | 2 | 1 | 5 | 3.4 | CS(=O)(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
9547099 | 60286 | 2 | None | -1 | 6 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL1742484 | 60286 | 2 | None | -1 | 6 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/acs.jmedchem.1c00347 | ||
122177592 | 121195 | 0 | None | -1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL3577265 | 121195 | 0 | None | -1 | 2 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
2889578 | 185155 | 17 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 373 | 2 | 2 | 5 | 3.7 | COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)ccc1O | nan | ||
CHEMBL4857084 | 185155 | 17 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 373 | 2 | 2 | 5 | 3.7 | COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)ccc1O | nan | ||
3149271 | 185263 | 12 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1 | nan | ||
CHEMBL4858584 | 185263 | 12 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)c1 | nan | ||
135411341 | 185953 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 336 | 3 | 2 | 4 | 3.1 | Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1 | nan | ||
CHEMBL4869541 | 185953 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 336 | 3 | 2 | 4 | 3.1 | Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1 | nan | ||
135411341 | 185953 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 336 | 3 | 2 | 4 | 3.1 | Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1 | nan | ||
CHEMBL4869541 | 185953 | 8 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 336 | 3 | 2 | 4 | 3.1 | Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1 | nan | ||
168283110 | 191053 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5187227 | 191053 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168283110 | 191053 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5187227 | 191053 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
155088329 | 185669 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 415 | 5 | 1 | 5 | 4.8 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OCC | nan | ||
CHEMBL4864919 | 185669 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 415 | 5 | 1 | 5 | 4.8 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OCC | nan | ||
3771554 | 185813 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 3 | 0 | 5 | 2.4 | CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4867113 | 185813 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 3 | 0 | 5 | 2.4 | CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
3771554 | 185813 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 3 | 0 | 5 | 2.4 | CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4867113 | 185813 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 350 | 3 | 0 | 5 | 2.4 | CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2877494 | 184540 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 378 | 4 | 0 | 5 | 3.0 | CCC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4847967 | 184540 | 11 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 378 | 4 | 0 | 5 | 3.0 | CCC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2877180 | 184940 | 10 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4853607 | 184940 | 10 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2881247 | 185023 | 13 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 432 | 4 | 0 | 6 | 4.0 | CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4855006 | 185023 | 13 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 432 | 4 | 0 | 6 | 4.0 | CC1CCN(c2cc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
2913727 | 185673 | 13 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 3 | 1 | 4 | 4.4 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4864992 | 185673 | 13 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 371 | 3 | 1 | 4 | 4.4 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
3512952 | 185527 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 345 | 1 | 1 | 3 | 4.1 | O=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4862774 | 185527 | 2 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 345 | 1 | 1 | 3 | 4.1 | O=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
2937056 | 184855 | 13 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 343 | 1 | 2 | 4 | 3.7 | O=C1CCCC2=C1C(c1cccc(O)c1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4852419 | 184855 | 13 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 343 | 1 | 2 | 4 | 3.7 | O=C1CCCC2=C1C(c1cccc(O)c1)C1=C(N2)c2ccccc2C1=O | nan | ||
155088350 | 185201 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | O=C1CCCC2=C1C(c1ccc(OCCO)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4857591 | 185201 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | O=C1CCCC2=C1C(c1ccc(OCCO)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
4594989 | 184470 | 2 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 327 | 1 | 1 | 3 | 4.0 | O=C1CCCC2=C1C(c1ccccc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4846925 | 184470 | 2 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 327 | 1 | 1 | 3 | 4.0 | O=C1CCCC2=C1C(c1ccccc1)C1=C(N2)c2ccccc2C1=O | nan | ||
5730000 | 185016 | 11 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | ||
CHEMBL4854909 | 185016 | 11 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | ||
5730000 | 185016 | 11 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | ||
CHEMBL4854909 | 185016 | 11 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | ||
17097609 | 185353 | 15 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 282 | 5 | 2 | 2 | 4.3 | C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1 | nan | ||
CHEMBL4860146 | 185353 | 15 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 282 | 5 | 2 | 2 | 4.3 | C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1 | nan | ||
1377411 | 186562 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 446 | 6 | 2 | 4 | 6.5 | Cc1cc(Cc2ccc(NC(=O)c3cccs3)c(C)c2)ccc1NC(=O)c1cccs1 | nan | ||
CHEMBL4878165 | 186562 | 6 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 446 | 6 | 2 | 4 | 6.5 | Cc1cc(Cc2ccc(NC(=O)c3cccs3)c(C)c2)ccc1NC(=O)c1cccs1 | nan | ||
2885277 | 184765 | 9 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4851095 | 184765 | 9 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
17097609 | 185353 | 15 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 282 | 5 | 2 | 2 | 4.3 | C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1 | nan | ||
CHEMBL4860146 | 185353 | 15 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 282 | 5 | 2 | 2 | 4.3 | C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1 | nan | ||
2877295 | 184873 | 12 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 364 | 4 | 0 | 5 | 2.8 | CCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4852656 | 184873 | 12 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 364 | 4 | 0 | 5 | 2.8 | CCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
155088334 | 185005 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 7 | 1 | 4 | 5.9 | CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4854655 | 185005 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 7 | 1 | 4 | 5.9 | CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
3156663 | 185290 | 10 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 355 | 2 | 1 | 3 | 4.6 | CCc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4859150 | 185290 | 10 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 355 | 2 | 1 | 3 | 4.6 | CCc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
17097609 | 185353 | 15 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 282 | 5 | 2 | 2 | 4.3 | C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1 | nan | ||
CHEMBL4860146 | 185353 | 15 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 282 | 5 | 2 | 2 | 4.3 | C=C(C)COc1ccc(NC(=O)Nc2ccccc2)cc1 | nan | ||
2885631 | 185907 | 8 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 448 | 5 | 0 | 6 | 3.2 | O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 | nan | ||
CHEMBL4868780 | 185907 | 8 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 448 | 5 | 0 | 6 | 3.2 | O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 | nan | ||
168271764 | 190479 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 574 | 24 | 5 | 8 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5178926 | 190479 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 574 | 24 | 5 | 8 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168271764 | 190479 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 574 | 24 | 5 | 8 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5178926 | 190479 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 574 | 24 | 5 | 8 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
155088337 | 185091 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 410 | 2 | 1 | 4 | 4.1 | O=C1CCCC2=C1C(c1ccc(N3CCCC3=O)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4856024 | 185091 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 410 | 2 | 1 | 4 | 4.1 | O=C1CCCC2=C1C(c1ccc(N3CCCC3=O)cc1)C1=C(N2)c2ccccc2C1=O | nan | ||
3748676 | 185220 | 7 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4857874 | 185220 | 7 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
3748676 | 185220 | 7 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4857874 | 185220 | 7 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 357 | 2 | 1 | 4 | 4.0 | COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
155088376 | 184665 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 328 | 1 | 1 | 4 | 3.4 | O=C1CCCC2=C1C(c1cccnc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4849761 | 184665 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 328 | 1 | 1 | 4 | 3.4 | O=C1CCCC2=C1C(c1cccnc1)C1=C(N2)c2ccccc2C1=O | nan | ||
135458873 | 71395 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 275 | 3 | 2 | 4 | 2.2 | O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 | nan | ||
CHEMBL1958251 | 71395 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 275 | 3 | 2 | 4 | 2.2 | O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 | nan | ||
135458873 | 71395 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 275 | 3 | 2 | 4 | 2.2 | O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 | nan | ||
CHEMBL1958251 | 71395 | 11 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 275 | 3 | 2 | 4 | 2.2 | O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 | nan | ||
2885277 | 184765 | 9 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4851095 | 184765 | 9 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
155088339 | 184891 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 385 | 3 | 1 | 4 | 4.8 | CC(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4852952 | 184891 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 385 | 3 | 1 | 4 | 4.8 | CC(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
155088340 | 184965 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 3.8 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cn1 | nan | ||
CHEMBL4853961 | 184965 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 3.8 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cn1 | nan | ||
155088336 | 185698 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 328 | 1 | 1 | 4 | 3.4 | O=C1CCCC2=C1C(c1ccncc1)C1=C(N2)c2ccccc2C1=O | nan | ||
CHEMBL4865459 | 185698 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 328 | 1 | 1 | 4 | 3.4 | O=C1CCCC2=C1C(c1ccncc1)C1=C(N2)c2ccccc2C1=O | nan | ||
3396000 | 184920 | 13 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 364 | 3 | 0 | 5 | 2.6 | CC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4853341 | 184920 | 13 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 364 | 3 | 0 | 5 | 2.6 | CC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2947216 | 185145 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 392 | 4 | 0 | 5 | 3.4 | CC(C)C(=O)N1CCN(c2cc(N3CCCCC3C)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4856879 | 185145 | 6 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 392 | 4 | 0 | 5 | 3.4 | CC(C)C(=O)N1CCN(c2cc(N3CCCCC3C)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
168296992 | 192320 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206394 | 192320 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168296992 | 192320 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206394 | 192320 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 560 | 23 | 5 | 8 | 3.6 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](N)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168296759 | 192316 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206379 | 192316 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168296759 | 192316 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206379 | 192316 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
2877180 | 184940 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4853607 | 184940 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2877180 | 184940 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4853607 | 184940 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 4 | 0 | 6 | 3.2 | CCOC(=O)N1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2877232 | 184817 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.2 | CCCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4851920 | 184817 | 10 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 378 | 5 | 0 | 5 | 3.2 | CCCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2877723 | 185559 | 8 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 412 | 4 | 0 | 5 | 3.7 | O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
CHEMBL4863268 | 185559 | 8 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 412 | 4 | 0 | 5 | 3.7 | O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 | nan | ||
2885631 | 185907 | 8 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 448 | 5 | 0 | 6 | 3.2 | O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 | nan | ||
CHEMBL4868780 | 185907 | 8 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 448 | 5 | 0 | 6 | 3.2 | O=[N+]([O-])c1cc(F)c(N2CCCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 | nan | ||
168277432 | 190476 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5178904 | 190476 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
2204858 | 185800 | 10 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 358 | 3 | 2 | 2 | 3.4 | S=C(NCc1ccco1)Nc1ccc(I)cc1 | nan | ||
CHEMBL4866910 | 185800 | 10 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 358 | 3 | 2 | 2 | 3.4 | S=C(NCc1ccco1)Nc1ccc(I)cc1 | nan | ||
168277432 | 190476 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5178904 | 190476 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168269339 | 189892 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 573 | 23 | 4 | 7 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OCC(C)(C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5169487 | 189892 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 573 | 23 | 4 | 7 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OCC(C)(C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168269339 | 189892 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 573 | 23 | 4 | 7 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OCC(C)(C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5169487 | 189892 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 573 | 23 | 4 | 7 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OCC(C)(C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168287780 | 191823 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5198736 | 191823 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168287780 | 191823 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5198736 | 191823 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168296056 | 192315 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206354 | 192315 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168296056 | 192315 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206354 | 192315 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 616 | 24 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@H](C)[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
155088329 | 185669 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 415 | 5 | 1 | 5 | 4.8 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OCC | nan | ||
CHEMBL4864919 | 185669 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 415 | 5 | 1 | 5 | 4.8 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1OCC | nan | ||
2913727 | 185673 | 13 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 371 | 3 | 1 | 4 | 4.4 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
CHEMBL4864992 | 185673 | 13 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 371 | 3 | 1 | 4 | 4.4 | CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1 | nan | ||
168296759 | 192316 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206379 | 192316 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168296759 | 192316 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5206379 | 192316 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 678 | 25 | 5 | 8 | 5.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
2885277 | 184765 | 9 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
CHEMBL4851095 | 184765 | 9 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 462 | 5 | 0 | 6 | 3.5 | CC1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1 | nan | ||
168288322 | 191393 | 0 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 586 | 24 | 4 | 7 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5192494 | 191393 | 0 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 586 | 24 | 4 | 7 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168288322 | 191393 | 0 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 586 | 24 | 4 | 7 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5192494 | 191393 | 0 | None | - | 1 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 586 | 24 | 4 | 7 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168294691 | 192458 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 616 | 25 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5208556 | 192458 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 616 | 25 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168294691 | 192458 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 616 | 25 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5208556 | 192458 | 0 | None | - | 1 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 616 | 25 | 5 | 8 | 4.1 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168275621 | 190616 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5180950 | 190616 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168275621 | 190616 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5180950 | 190616 | 0 | None | - | 1 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 644 | 24 | 5 | 8 | 4.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)C(C)(C)C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
5730000 | 185016 | 11 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | ||
CHEMBL4854909 | 185016 | 11 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | ||
168291465 | 191870 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 544 | 20 | 4 | 7 | 3.4 | CCCCCCCOc1ccccc1CCC(=O)NC[C@@H](C)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5199515 | 191870 | 0 | None | - | 1 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 544 | 20 | 4 | 7 | 3.4 | CCCCCCCOc1ccccc1CCC(=O)NC[C@@H](C)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O | 10.1021/acs.jmedchem.1c00347 | ||
168284112 | 190760 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5183032 | 190760 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168284112 | 190760 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5183032 | 190760 | 0 | None | - | 1 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168283110 | 191053 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5187227 | 191053 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168283110 | 191053 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5187227 | 191053 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 559 | 23 | 4 | 7 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](C)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168285198 | 191710 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 630 | 26 | 5 | 8 | 4.5 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5196983 | 191710 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 630 | 26 | 5 | 8 | 4.5 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168285198 | 191710 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 630 | 26 | 5 | 8 | 4.5 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5196983 | 191710 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 630 | 26 | 5 | 8 | 4.5 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168277990 | 190127 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5173365 | 190127 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168277990 | 190127 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5173365 | 190127 | 0 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 602 | 24 | 5 | 8 | 3.7 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168272762 | 190542 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 25 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5179787 | 190542 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 25 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168272762 | 190542 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 25 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5179787 | 190542 | 0 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 616 | 25 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168293367 | 192079 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5202805 | 192079 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168293367 | 192079 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5202805 | 192079 | 0 | None | - | 1 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 644 | 27 | 5 | 8 | 4.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)CCCC)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168283956 | 191291 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 616 | 24 | 4 | 9 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)OC)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5190878 | 191291 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 616 | 24 | 4 | 9 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)OC)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168283956 | 191291 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 616 | 24 | 4 | 9 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)OC)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5190878 | 191291 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 616 | 24 | 4 | 9 | 3.8 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(C)=O)C(=O)OC)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168294994 | 192471 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 720 | 25 | 5 | 8 | 6.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5208758 | 192471 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 720 | 25 | 5 | 8 | 6.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
168294994 | 192471 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 720 | 25 | 5 | 8 | 6.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
CHEMBL5208758 | 192471 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 720 | 25 | 5 | 8 | 6.3 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)O)c1 | 10.1021/acs.jmedchem.1c00347 | ||
4064 | 2435 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 525 | 25 | 4 | 8 | 4.7 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O | 22983457 | ||
42607474 | 2435 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 525 | 25 | 4 | 8 | 4.7 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O | 22983457 | ||
CHEMBL582985 | 2435 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 525 | 25 | 4 | 8 | 4.7 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O | 22983457 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
6402927 | 185809 | 10 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.0 | Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O | nan | |||
CHEMBL4867042 | 185809 | 10 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 4.0 | Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O | nan | |||
122177510 | 121172 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 511 | 23 | 4 | 8 | 4.3 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577164 | 121172 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 511 | 23 | 4 | 8 | 4.3 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177506 | 121168 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 537 | 24 | 3 | 9 | 4.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)OC | 10.1021/jm5020082 | |||
CHEMBL3577158 | 121168 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 537 | 24 | 3 | 9 | 4.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)OC | 10.1021/jm5020082 | |||
122177506 | 121168 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 537 | 24 | 3 | 9 | 4.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)OC | 10.1021/jm5020082 | |||
CHEMBL3577158 | 121168 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 537 | 24 | 3 | 9 | 4.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)OC | 10.1021/jm5020082 | |||
122177510 | 121172 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 511 | 23 | 4 | 8 | 4.3 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577164 | 121172 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 511 | 23 | 4 | 8 | 4.3 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177513 | 121174 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577167 | 121174 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177513 | 121174 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577167 | 121174 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177511 | 121173 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 483 | 21 | 4 | 8 | 3.5 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577165 | 121173 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 483 | 21 | 4 | 8 | 3.5 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177511 | 121173 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 483 | 21 | 4 | 8 | 3.5 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577165 | 121173 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 483 | 21 | 4 | 8 | 3.5 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
52926276 | 121158 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 441 | 19 | 4 | 8 | 2.4 | CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577147 | 121158 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 441 | 19 | 4 | 8 | 2.4 | CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177518 | 121180 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577172 | 121180 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177518 | 121180 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577172 | 121180 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
52926276 | 121158 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 441 | 19 | 4 | 8 | 2.4 | CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577147 | 121158 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 441 | 19 | 4 | 8 | 2.4 | CCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177490 | 121151 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577138 | 121151 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177490 | 121151 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577138 | 121151 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177493 | 121153 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 525 | 24 | 3 | 7 | 5.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577141 | 121153 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 525 | 24 | 3 | 7 | 5.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177493 | 121153 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 525 | 24 | 3 | 7 | 5.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577141 | 121153 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 525 | 24 | 3 | 7 | 5.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177521 | 121183 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577175 | 121183 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177521 | 121183 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577175 | 121183 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
52926278 | 121155 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 495 | 22 | 4 | 8 | 3.7 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577144 | 121155 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 495 | 22 | 4 | 8 | 3.7 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
52926278 | 121155 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 495 | 22 | 4 | 8 | 3.7 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577144 | 121155 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 495 | 22 | 4 | 8 | 3.7 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177592 | 121195 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577265 | 121195 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177592 | 121195 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577265 | 121195 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 574 | 23 | 5 | 8 | 3.9 | CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177520 | 121182 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577174 | 121182 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177520 | 121182 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577174 | 121182 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
135411341 | 185953 | 8 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 336 | 3 | 2 | 4 | 3.1 | Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1 | nan | |||
CHEMBL4869541 | 185953 | 8 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 336 | 3 | 2 | 4 | 3.1 | Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1 | nan | |||
122177590 | 121193 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 575 | 23 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577263 | 121193 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 575 | 23 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177590 | 121193 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 575 | 23 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577263 | 121193 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 575 | 23 | 4 | 9 | 4.4 | CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177517 | 121179 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577171 | 121179 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177517 | 121179 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577171 | 121179 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177515 | 121176 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
CHEMBL3577169 | 121176 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
122177515 | 121176 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
CHEMBL3577169 | 121176 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
5730000 | 185016 | 11 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | |||
CHEMBL4854909 | 185016 | 11 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 404 | 4 | 2 | 5 | 4.3 | Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(N)(=O)=O)c2)c2ccccc12 | nan | |||
122177516 | 121178 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 533 | 21 | 4 | 9 | 3.2 | CCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577170 | 121178 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 533 | 21 | 4 | 9 | 3.2 | CCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177516 | 121178 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 533 | 21 | 4 | 9 | 3.2 | CCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577170 | 121178 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 533 | 21 | 4 | 9 | 3.2 | CCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
9547099 | 60286 | 2 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL1742484 | 60286 | 2 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
9547099 | 60286 | 2 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL1742484 | 60286 | 2 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 523 | 24 | 4 | 8 | 4.5 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
9547100 | 121156 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 497 | 23 | 4 | 8 | 3.9 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577145 | 121156 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 497 | 23 | 4 | 8 | 3.9 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
9547100 | 121156 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 497 | 23 | 4 | 8 | 3.9 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577145 | 121156 | 3 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 497 | 23 | 4 | 8 | 3.9 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
135458873 | 71395 | 11 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 275 | 3 | 2 | 4 | 2.2 | O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 | nan | |||
CHEMBL1958251 | 71395 | 11 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 275 | 3 | 2 | 4 | 2.2 | O=C(N/N=C/c1cc(Cl)ccc1O)c1ccncc1 | nan | |||
122177509 | 121171 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 509 | 22 | 4 | 8 | 4.1 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577163 | 121171 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 509 | 22 | 4 | 8 | 4.1 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177509 | 121171 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 509 | 22 | 4 | 8 | 4.1 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577163 | 121171 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 509 | 22 | 4 | 8 | 4.1 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177504 | 121166 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 522 | 24 | 5 | 7 | 4.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577156 | 121166 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 522 | 24 | 5 | 7 | 4.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177504 | 121166 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 522 | 24 | 5 | 7 | 4.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577156 | 121166 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 522 | 24 | 5 | 7 | 4.0 | CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177591 | 121194 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 519 | 19 | 4 | 9 | 2.8 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577264 | 121194 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 519 | 19 | 4 | 9 | 2.8 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177591 | 121194 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 519 | 19 | 4 | 9 | 2.8 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577264 | 121194 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 519 | 19 | 4 | 9 | 2.8 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177519 | 121181 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
CHEMBL3577173 | 121181 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
122177519 | 121181 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
CHEMBL3577173 | 121181 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 561 | 23 | 4 | 9 | 4.0 | CCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
52926277 | 121157 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 469 | 21 | 4 | 8 | 3.1 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577146 | 121157 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 469 | 21 | 4 | 8 | 3.1 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
52926277 | 121157 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 469 | 21 | 4 | 8 | 3.1 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577146 | 121157 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 469 | 21 | 4 | 8 | 3.1 | CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177514 | 121175 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577168 | 121175 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
122177514 | 121175 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
CHEMBL3577168 | 121175 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 505 | 19 | 4 | 9 | 2.4 | CCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)c1 | 10.1021/jm5020082 | |||
101780960 | 121170 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 537 | 24 | 4 | 8 | 4.9 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577162 | 121170 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 537 | 24 | 4 | 8 | 4.9 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
101780960 | 121170 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 537 | 24 | 4 | 8 | 4.9 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577162 | 121170 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 537 | 24 | 4 | 8 | 4.9 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177522 | 121184 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
CHEMBL3577176 | 121184 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
122177522 | 121184 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
CHEMBL3577176 | 121184 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 617 | 27 | 4 | 9 | 5.5 | CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O)cc1 | 10.1021/jm5020082 | |||
122177528 | 121190 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 563 | 23 | 3 | 8 | 5.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577182 | 121190 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 563 | 23 | 3 | 8 | 5.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
122177528 | 121190 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 563 | 23 | 3 | 8 | 5.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 | |||
CHEMBL3577182 | 121190 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 563 | 23 | 3 | 8 | 5.0 | CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@@H](F)COP(=O)(O)OC[C@H](N)C(=O)O | 10.1021/jm5020082 |