Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50065787'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50065787 (4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...) Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris-Sud Curated by ChEMBL					Assay Description In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.				J Med Chem 41: 2846-57 (1998) Article DOI: 10.1021/jm980043e BindingDB Entry DOI: 10.7270/Q21Z43JH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50065787 (4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...) Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris-Sud Curated by ChEMBL					Assay Description HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.				J Med Chem 41: 2846-57 (1998) Article DOI: 10.1021/jm980043e BindingDB Entry DOI: 10.7270/Q21Z43JH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50065787 (4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...) Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3' processing activity				Eur J Med Chem 43: 81-92 (2008) Article DOI: 10.1016/j.ejmech.2007.02.021 BindingDB Entry DOI: 10.7270/Q24170XZ
					More data for this Ligand-Target Pair