Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50056935'
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056935(3-(3,4-Dihydroxy-phenyl)-2-(4-nitro-benzoylamino)-...)
Show SMILES Oc1ccc(CC(NC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C23H20N2O7/c26-20-11-6-16(13-21(20)27)12-19(23(29)32-14-15-4-2-1-3-5-15)24-22(28)17-7-9-18(10-8-17)25(30)31/h1-11,13,19,26-27H,12,14H2,(H,24,28)
Affinity DataIC50: 5.54E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056935(3-(3,4-Dihydroxy-phenyl)-2-(4-nitro-benzoylamino)-...)
Show SMILES Oc1ccc(CC(NC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C23H20N2O7/c26-20-11-6-16(13-21(20)27)12-19(23(29)32-14-15-4-2-1-3-5-15)24-22(28)17-7-9-18(10-8-17)25(30)31/h1-11,13,19,26-27H,12,14H2,(H,24,28)
Affinity DataIC50: 7.66E+4nMAssay Description:Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056935(3-(3,4-Dihydroxy-phenyl)-2-(4-nitro-benzoylamino)-...)
Show SMILES Oc1ccc(CC(NC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C23H20N2O7/c26-20-11-6-16(13-21(20)27)12-19(23(29)32-14-15-4-2-1-3-5-15)24-22(28)17-7-9-18(10-8-17)25(30)31/h1-11,13,19,26-27H,12,14H2,(H,24,28)
Affinity DataIC50: 1.63E+5nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1More data for this Ligand-Target Pair
TargetIntegrase(Human immunodeficiency virus 1)
National Cancer Institute-Bethesda

Curated by ChEMBL
LigandPNGBDBM50056935(3-(3,4-Dihydroxy-phenyl)-2-(4-nitro-benzoylamino)-...)
Show SMILES Oc1ccc(CC(NC(=O)c2ccc(cc2)[N+]([O-])=O)C(=O)OCc2ccccc2)cc1O
Show InChI InChI=1S/C23H20N2O7/c26-20-11-6-16(13-21(20)27)12-19(23(29)32-14-15-4-2-1-3-5-15)24-22(28)17-7-9-18(10-8-17)25(30)31/h1-11,13,19,26-27H,12,14H2,(H,24,28)
Affinity DataIC50: 2.53E+5nMAssay Description:Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2More data for this Ligand-Target Pair