Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) with all data for entry = 3080
TargetGag-Pol polyprotein [1148-1435](Human immunodeficiency virus type 1)
Gilead Sciences Inc

LigandPNGBDBM27749(3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H,...)
Show SMILES COc1c2CNC(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12
Show InChI InChI=1S/C19H15FN2O3/c1-25-18-13-7-11(6-10-2-4-12(20)5-3-10)8-21-16(13)17(23)15-14(18)9-22-19(15)24/h2-5,7-8,23H,6,9H2,1H3,(H,22,24)
Affinity DataIC50: 14nMpH: 7.3 T: 2°CAssay Description:In the strand-transfer assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow proce...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [1148-1435](Human immunodeficiency virus type 1)
Gilead Sciences Inc

LigandPNGBDBM27751(N-{3-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-8...)
Show SMILES CN(c1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C21H20FN3O4S/c1-24-11-16-17(21(24)27)20(26)18-15(19(16)25(2)30(3,28)29)9-13(10-23-18)8-12-4-6-14(22)7-5-12/h4-7,9-10,26H,8,11H2,1-3H3
Affinity DataIC50: 80nMpH: 7.3 T: 2°CAssay Description:In the strand-transfer assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow proce...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [1148-1435](Human immunodeficiency virus type 1)
Gilead Sciences Inc

LigandPNGBDBM27748(3-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-7-m...)
Show SMILES COc1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H17FN2O3/c1-23-10-15-16(20(23)25)18(24)17-14(19(15)26-2)8-12(9-22-17)7-11-3-5-13(21)6-4-11/h3-6,8-9,24H,7,10H2,1-2H3
Affinity DataIC50: 100nMpH: 7.3 T: 2°CAssay Description:In the strand-transfer assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow proce...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [1148-1435](Human immunodeficiency virus type 1)
Gilead Sciences Inc

LigandPNGBDBM27752(N-{3-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7...)
Show SMILES CN(c1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)c(Cl)c3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19ClFN3O4S/c1-25-10-14-17(21(25)28)20(27)18-13(19(14)26(2)31(3,29)30)7-12(9-24-18)6-11-4-5-16(23)15(22)8-11/h4-5,7-9,27H,6,10H2,1-3H3
Affinity DataIC50: 265nMpH: 7.3 T: 2°CAssay Description:In the strand-transfer assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow proce...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [1148-1435](Human immunodeficiency virus type 1)
Gilead Sciences Inc

LigandPNGBDBM27750(3,7-bis[(4-fluorophenyl)methyl]-9-hydroxy-5-methox...)
Show SMILES COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H20F2N2O3/c1-33-25-20-11-17(10-15-2-6-18(27)7-3-15)12-29-23(20)24(31)22-21(25)14-30(26(22)32)13-16-4-8-19(28)9-5-16/h2-9,11-12,31H,10,13-14H2,1H3
Affinity DataIC50: 600nMpH: 7.3 T: 2°CAssay Description:In the strand-transfer assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow proce...More data for this Ligand-Target Pair