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 |
122195891 | 130975 | 0 | None | -269 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 489 | 7 | 6 | 13 | -0.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634182 | 130975 | 0 | None | -269 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 489 | 7 | 6 | 13 | -0.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.5b00575 | ||
122195895 | 130979 | 0 | None | -11 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 477 | 6 | 6 | 12 | -0.2 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)S)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634186 | 130979 | 0 | None | -11 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 477 | 6 | 6 | 12 | -0.2 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)S)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
73351984 | 97156 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 457 | 6 | 5 | 12 | -1.5 | B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)O | 10.1021/jm400197m | ||
CHEMBL2386492 | 97156 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 457 | 6 | 5 | 12 | -1.5 | B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)O | 10.1021/jm400197m | ||
122195893 | 130977 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 557 | 8 | 7 | 14 | -0.0 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634184 | 130977 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 557 | 8 | 7 | 14 | -0.0 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
23656760 | 21484 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 974 | 9 | 4 | 10 | 10.0 | O=S(=O)(O)OC(=C\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)/C(=C/c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)OS(=O)(=O)O | 10.1021/jm070043r | ||
CHEMBL1206193 | 21484 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 974 | 9 | 4 | 10 | 10.0 | O=S(=O)(O)OC(=C\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)/C(=C/c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)OS(=O)(=O)O | 10.1021/jm070043r | ||
CHEMBL240681 | 21484 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 974 | 9 | 4 | 10 | 10.0 | O=S(=O)(O)OC(=C\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)/C(=C/c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)OS(=O)(=O)O | 10.1021/jm070043r | ||
73353445 | 97160 | 0 | None | 7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 603 | 8 | 6 | 13 | -0.1 | B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O | 10.1021/jm400197m | ||
CHEMBL2386496 | 97160 | 0 | None | 7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 603 | 8 | 6 | 13 | -0.1 | B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O | 10.1021/jm400197m | ||
56941832 | 83555 | 0 | None | -42 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 908 | 16 | 10 | 25 | -2.5 | BP(=O)(OP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm100597c | ||
CHEMBL1802094 | 83555 | 0 | None | -42 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 908 | 16 | 10 | 25 | -2.5 | BP(=O)(OP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm100597c | ||
CHEMBL2068734 | 83555 | 0 | None | -42 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 908 | 16 | 10 | 25 | -2.5 | BP(=O)(OP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O | 10.1021/jm100597c | ||
122195892 | 130976 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 477 | 6 | 6 | 12 | -0.2 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634183 | 130976 | 0 | None | -3 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 477 | 6 | 6 | 12 | -0.2 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
73347374 | 97159 | 0 | None | -9 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 603 | 8 | 6 | 13 | -0.1 | B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O | 10.1021/jm400197m | ||
CHEMBL2386495 | 97159 | 0 | None | -9 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 603 | 8 | 6 | 13 | -0.1 | B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O | 10.1021/jm400197m | ||
1756 | 7251 | 10 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
5310954 | 7251 | 10 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
CHEMBL336292 | 7251 | 10 | None | -38 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10.1021/jm020046y | ||
73354953 | 97155 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 577 | 9 | 5 | 14 | 0.8 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3OC(=O)c3ccccc3)c2n1 | 10.1021/jm400197m | ||
CHEMBL2386490 | 97155 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 577 | 9 | 5 | 14 | 0.8 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3OC(=O)c3ccccc3)c2n1 | 10.1021/jm400197m | ||
135973538 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
1728 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
2966 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
4261196 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
5361 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
CHEMBL265502 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
DB04786 | 10482 | 33 | None | -2 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm020046y | ||
1712 | 7076 | 69 | None | -41 | 6 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
6022 | 7076 | 69 | None | -41 | 6 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL14830 | 7076 | 69 | None | -41 | 6 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
1712 | 7076 | 69 | None | -41 | 6 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
6022 | 7076 | 69 | None | -41 | 6 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
CHEMBL14830 | 7076 | 69 | None | -41 | 6 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 6 | 6 | 12 | -1.7 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
10994891 | 85204 | 0 | None | -194 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 517 | 8 | 7 | 13 | -1.0 | Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12 | 10.1021/jm010369e | ||
CHEMBL2111533 | 85204 | 0 | None | -194 | 4 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 517 | 8 | 7 | 13 | -1.0 | Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12 | 10.1021/jm010369e | ||
6083 | 211594 | 95 | None | -34 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 4 | 5 | 10 | -1.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm010369e | ||
CHEMBL1315633 | 211594 | 95 | None | -34 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 4 | 5 | 10 | -1.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm010369e | ||
CHEMBL752 | 211594 | 95 | None | -34 | 7 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 4 | 5 | 10 | -1.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm010369e | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm010538v | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm010538v | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm010538v | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm010538v | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm010538v | ||
CHEMBL2181938 | 217271 | 0 | None | -3 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)O | 10.1021/jm400197m | ||||
CHEMBL2448332 | 217271 | 0 | None | -3 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | None | None | None | B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)O | 10.1021/jm400197m | ||||
440317 | 28520 | 17 | None | 2 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 523 | 8 | 7 | 14 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O | 10.1021/jm020046y | ||
CHEMBL131890 | 28520 | 17 | None | 2 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 523 | 8 | 7 | 14 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O | 10.1021/jm020046y | ||
1755 | 7077 | 17 | None | -16218 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
5310996 | 7077 | 17 | None | -16218 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
CHEMBL335206 | 7077 | 17 | None | -16218 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
122195891 | 130975 | 0 | None | -269 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 6 | 13 | -0.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634182 | 130975 | 0 | None | -269 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 6 | 13 | -0.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.5b00575 | ||
1755 | 7077 | 17 | None | -16218 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
5310996 | 7077 | 17 | None | -16218 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL335206 | 7077 | 17 | None | -16218 | 6 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm100597c | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm100597c | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm100597c | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm100597c | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm100597c | ||
118725181 | 123850 | 0 | None | -524 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 457 | 6 | 5 | 12 | -1.5 | B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)O | 10.1021/jm400197m | ||
CHEMBL3392138 | 123850 | 0 | None | -524 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 457 | 6 | 5 | 12 | -1.5 | B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)OP(=O)(O)O | 10.1021/jm400197m | ||
171069 | 204995 | 7 | None | -60 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL575257 | 204995 | 7 | None | -60 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
23656758 | 21596 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1018 | 10 | 5 | 11 | 9.7 | O=C(O)c1c(-c2ccc(O)c(Br)c2)oc2c(Br)cc(/C=C(OS(=O)(=O)O)/C(=C/c3cc(Br)c4oc(-c5ccc(O)c(Br)c5)cc4c3)OS(=O)(=O)O)cc12 | 10.1021/jm070043r | ||
CHEMBL1207329 | 21596 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1018 | 10 | 5 | 11 | 9.7 | O=C(O)c1c(-c2ccc(O)c(Br)c2)oc2c(Br)cc(/C=C(OS(=O)(=O)O)/C(=C/c3cc(Br)c4oc(-c5ccc(O)c(Br)c5)cc4c3)OS(=O)(=O)O)cc12 | 10.1021/jm070043r | ||
CHEMBL394381 | 21596 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 1018 | 10 | 5 | 11 | 9.7 | O=C(O)c1c(-c2ccc(O)c(Br)c2)oc2c(Br)cc(/C=C(OS(=O)(=O)O)/C(=C/c3cc(Br)c4oc(-c5ccc(O)c(Br)c5)cc4c3)OS(=O)(=O)O)cc12 | 10.1021/jm070043r | ||
122195892 | 130976 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 477 | 6 | 6 | 12 | -0.2 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634183 | 130976 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 477 | 6 | 6 | 12 | -0.2 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
1711 | 6865 | 15 | None | -64565 | 7 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10.1021/jm020046y | ||
5310983 | 6865 | 15 | None | -64565 | 7 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10.1021/jm020046y | ||
CHEMBL336208 | 6865 | 15 | None | -64565 | 7 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10.1021/jm020046y | ||
440317 | 28520 | 17 | None | 2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 523 | 8 | 7 | 14 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O | 10.1021/jm070043r | ||
CHEMBL131890 | 28520 | 17 | None | 2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 523 | 8 | 7 | 14 | -1.5 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O | 10.1021/jm070043r | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/acs.jmedchem.5b00575 | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10.1021/jm400197m | ||
44353592 | 123926 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 687 | 11 | 6 | 15 | 1.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm020046y | ||
CHEMBL339386 | 123926 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 687 | 11 | 6 | 15 | 1.9 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm020046y | ||
171069 | 204995 | 7 | None | -60 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL575257 | 204995 | 7 | None | -60 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 443 | 6 | 6 | 12 | -0.8 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
122195894 | 130978 | 0 | None | -23 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 489 | 7 | 6 | 13 | -0.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)S)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634185 | 130978 | 0 | None | -23 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 489 | 7 | 6 | 13 | -0.1 | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)S)[C@@H](O)[C@H]3O)c2n1 | 10.1021/acs.jmedchem.5b00575 | ||
14753886 | 118798 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 521 | 8 | 7 | 13 | -1.4 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm500196c | ||
CHEMBL3289393 | 118798 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 521 | 8 | 7 | 13 | -1.4 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](O)(=S)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/jm500196c | ||
15993 | 8109 | 51 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
1760 | 8109 | 51 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
CHEMBL335538 | 8109 | 51 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
DB03222 | 8109 | 51 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10.1021/jm020046y | ||
122195893 | 130977 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 557 | 8 | 7 | 14 | -0.0 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
CHEMBL3634184 | 130977 | 0 | None | -3 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 557 | 8 | 7 | 14 | -0.0 | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | 10.1021/acs.jmedchem.5b00575 | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | None | ||
1734 | 10738 | 50 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | None | ||
3639 | 10738 | 50 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | None | ||
6133 | 10738 | 50 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | None | ||
CHEMBL336296 | 10738 | 50 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | None | ||
DB04005 | 10738 | 50 | None | -1 | 7 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | None | ||
1755 | 7077 | 17 | None | -16218 | 6 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
5310996 | 7077 | 17 | None | -16218 | 6 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
CHEMBL335206 | 7077 | 17 | None | -16218 | 6 | Human | 4.2 | pEC50 | = | 4.2 | Functional | Guide to Pharmacology | 443 | 6 | 6 | 12 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12213051 | ||
1713 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12761346 | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12213051 | ||
5957 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12761346 | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12213051 | ||
91 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12761346 | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12213051 | ||
CHEMBL14249 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12761346 | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12213051 | ||
DB00171 | 7308 | 68 | None | -165 | 10 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 507 | 8 | 7 | 14 | -1.6 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 12761346 | ||
1714 | 7309 | 0 | None | -158 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 519 | 8 | 3 | 18 | -4.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
44123300 | 7309 | 0 | None | -158 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 519 | 8 | 3 | 18 | -4.0 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N | 10578132 | ||
1734 | 10738 | 50 | None | -1 | 7 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 12761346 | ||
3639 | 10738 | 50 | None | -1 | 7 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 12761346 | ||
6133 | 10738 | 50 | None | -1 | 7 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 12761346 | ||
CHEMBL336296 | 10738 | 50 | None | -1 | 7 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 12761346 | ||
DB04005 | 10738 | 50 | None | -1 | 7 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 484 | 8 | 7 | 12 | -2.5 | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O | 12761346 | ||
136861374 | 9588 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 1180 | 22 | 10 | 13 | 8.1 | [Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O | 19815812 | ||
4046 | 9588 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 1180 | 22 | 10 | 13 | 8.1 | [Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O | 19815812 | ||
73755075 | 9588 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 1180 | 22 | 10 | 13 | 8.1 | [Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O | 19815812 | ||
90488895 | 9588 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | Guide to Pharmacology | 1180 | 22 | 10 | 13 | 8.1 | [Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O | 19815812 | ||
1762 | 9587 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 986 | 14 | 4 | 15 | 3.9 | [Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na] | 18404494 | ||
73755007 | 9587 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 986 | 14 | 4 | 15 | 3.9 | [Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na] | 18404494 | ||
90488883 | 9587 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 986 | 14 | 4 | 15 | 3.9 | [Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na] | 18404494 | ||
1756 | 7251 | 10 | None | -38 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10578132 | ||
1756 | 7251 | 10 | None | -38 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 15893764 | ||
5310954 | 7251 | 10 | None | -38 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10578132 | ||
5310954 | 7251 | 10 | None | -38 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 15893764 | ||
CHEMBL336292 | 7251 | 10 | None | -38 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 10578132 | ||
CHEMBL336292 | 7251 | 10 | None | -38 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 647 | 11 | 7 | 14 | 1.1 | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O | 15893764 | ||
1711 | 6865 | 15 | None | -64565 | 7 | Human | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10578132 | ||
5310983 | 6865 | 15 | None | -64565 | 7 | Human | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10578132 | ||
CHEMBL336208 | 6865 | 15 | None | -64565 | 7 | Human | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | 553 | 9 | 7 | 15 | -0.9 | CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10578132 | ||
15993 | 8109 | 51 | None | 1 | 2 | Human | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10578132 | ||
1760 | 8109 | 51 | None | 1 | 2 | Human | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10578132 | ||
CHEMBL335538 | 8109 | 51 | None | 1 | 2 | Human | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10578132 | ||
DB03222 | 8109 | 51 | None | 1 | 2 | Human | 4.9 | pEC50 | None | 4.9 | Functional | Guide to Pharmacology | 491 | 8 | 6 | 13 | -0.6 | O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | 10578132 | ||
115205 | 7547 | 0 | None | - | 1 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 715 | 12 | 6 | 16 | 1.5 | O[C@@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10578132 | ||
1757 | 7547 | 0 | None | - | 1 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 715 | 12 | 6 | 16 | 1.5 | O[C@@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10578132 | ||
CHEMBL2407634 | 7547 | 0 | None | - | 1 | Human | 5.1 | pEC50 | None | 5.1 | Functional | Guide to Pharmacology | 715 | 12 | 6 | 16 | 1.5 | O[C@@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O | 10578132 | ||
135973538 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
1728 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
2966 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
4261196 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
5361 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
CHEMBL265502 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
DB04786 | 10482 | 33 | None | -2 | 10 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | None | ||
136677322 | 10069 | 24 | None | -398 | 9 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10578132 | ||
1739 | 10069 | 24 | None | -398 | 9 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10578132 | ||
656725 | 10069 | 24 | None | -398 | 9 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10578132 | ||
CHEMBL1160031 | 10069 | 24 | None | -398 | 9 | Human | 5.0 | pIC50 | = | 5 | Functional | Guide to Pharmacology | 773 | 9 | 7 | 15 | 3.9 | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 | 10578132 | ||
135973538 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
1728 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
2966 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
4261196 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
5361 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
CHEMBL265502 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
DB04786 | 10482 | 33 | None | -2 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10578132 | ||
1762 | 9587 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 986 | 14 | 4 | 15 | 3.9 | [Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na] | 19815812 | ||
73755007 | 9587 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 986 | 14 | 4 | 15 | 3.9 | [Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na] | 19815812 | ||
90488883 | 9587 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | Guide to Pharmacology | 986 | 14 | 4 | 15 | 3.9 | [Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na] | 19815812 |
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 |
11636757 | 9586 | 4 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
136776947 | 9586 | 4 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
1761 | 9586 | 4 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
CHEMBL1207514 | 9586 | 4 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
136825091 | 21734 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 1324 | 18 | 12 | 17 | 7.3 | CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3CC)c2)c1 | 10.1021/jm050301p | ||
451869 | 21734 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 1324 | 18 | 12 | 17 | 7.3 | CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3CC)c2)c1 | 10.1021/jm050301p | ||
CHEMBL1208520 | 21734 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 1324 | 18 | 12 | 17 | 7.3 | CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3CC)c2)c1 | 10.1021/jm050301p | ||
CHEMBL276295 | 21734 | 2 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 1324 | 18 | 12 | 17 | 7.3 | CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3CC)c2)c1 | 10.1021/jm050301p | ||
11564437 | 21636 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1336 | 16 | 12 | 17 | 7.4 | O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2Cl)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2Cl)c1 | 10.1021/jm050301p | ||
CHEMBL1207516 | 21636 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1336 | 16 | 12 | 17 | 7.4 | O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2Cl)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2Cl)c1 | 10.1021/jm050301p | ||
CHEMBL413180 | 21636 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1336 | 16 | 12 | 17 | 7.4 | O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2Cl)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2Cl)c1 | 10.1021/jm050301p | ||
135973538 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
1728 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
2966 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
4261196 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
5361 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
CHEMBL265502 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
DB04786 | 10482 | 33 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
CHEMBL5289838 | 201443 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 906 | 10 | 16 | 7 | 6.0 | Cc1ccc(C(=O)Nc2cc([SH](=O)(O)O)cc3ccc([SH](=O)(O)O)cc23)cc1NC(=O)Nc1cc(C(=O)Nc2cc([SH](=O)(O)O)cc3ccc([SH](=O)(O)O)cc23)ccc1C | 10.1021/acs.jmedchem.5b01972 | ||
CHEMBL5316131 | 201443 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 906 | 10 | 16 | 7 | 6.0 | Cc1ccc(C(=O)Nc2cc([SH](=O)(O)O)cc3ccc([SH](=O)(O)O)cc23)cc1NC(=O)Nc1cc(C(=O)Nc2cc([SH](=O)(O)O)cc3ccc([SH](=O)(O)O)cc23)ccc1C | 10.1021/acs.jmedchem.5b01972 | ||
11679781 | 21633 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1356 | 20 | 12 | 19 | 6.4 | COCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3COC)c2)c1 | 10.1021/jm050301p | ||
CHEMBL1207473 | 21633 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1356 | 20 | 12 | 19 | 6.4 | COCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3COC)c2)c1 | 10.1021/jm050301p | ||
CHEMBL409304 | 21633 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 1356 | 20 | 12 | 19 | 6.4 | COCc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3COC)c2)c1 | 10.1021/jm050301p | ||
16163320 | 21518 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1420 | 18 | 12 | 17 | 9.5 | O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2-c2ccccc2)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2-c2ccccc2)c1 | 10.1021/jm050301p | ||
CHEMBL1206368 | 21518 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1420 | 18 | 12 | 17 | 9.5 | O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2-c2ccccc2)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2-c2ccccc2)c1 | 10.1021/jm050301p | ||
CHEMBL266646 | 21518 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1420 | 18 | 12 | 17 | 9.5 | O=C(Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2-c2ccccc2)c1)Nc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2-c2ccccc2)c1 | 10.1021/jm050301p | ||
135973538 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
1728 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
2966 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
4261196 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
5361 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
CHEMBL265502 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
DB04786 | 10482 | 33 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1296 | 16 | 12 | 17 | 6.7 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
11636757 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
136776947 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
1761 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
CHEMBL1207514 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 10.1021/jm050301p | ||
10080219 | 21627 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1352 | 18 | 12 | 17 | 8.4 | CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C(C)C)c2)c1 | 10.1021/jm050301p | ||
136825093 | 21627 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1352 | 18 | 12 | 17 | 8.4 | CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C(C)C)c2)c1 | 10.1021/jm050301p | ||
CHEMBL1207434 | 21627 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1352 | 18 | 12 | 17 | 8.4 | CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C(C)C)c2)c1 | 10.1021/jm050301p | ||
CHEMBL405500 | 21627 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1352 | 18 | 12 | 17 | 8.4 | CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C(C)C)c2)c1 | 10.1021/jm050301p | ||
16155350 | 21637 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1328 | 18 | 12 | 19 | 6.1 | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3OC)c2)c1 | 10.1021/jm050301p | ||
CHEMBL1207525 | 21637 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1328 | 18 | 12 | 19 | 6.1 | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3OC)c2)c1 | 10.1021/jm050301p | ||
CHEMBL413910 | 21637 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1328 | 18 | 12 | 19 | 6.1 | COc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3OC)c2)c1 | 10.1021/jm050301p | ||
136880426 | 21635 | 4 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1058 | 12 | 10 | 15 | 4.2 | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C | 10.1021/jm050301p | ||
369605 | 21635 | 4 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1058 | 12 | 10 | 15 | 4.2 | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C | 10.1021/jm050301p | ||
CHEMBL1207502 | 21635 | 4 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1058 | 12 | 10 | 15 | 4.2 | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C | 10.1021/jm050301p | ||
CHEMBL411554 | 21635 | 4 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1058 | 12 | 10 | 15 | 4.2 | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C | 10.1021/jm050301p | ||
11636757 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 16250663 | ||
136776947 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 16250663 | ||
1761 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 16250663 | ||
CHEMBL1207514 | 9586 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 1304 | 16 | 12 | 17 | 6.4 | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | 16250663 |