Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50056874'   

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)	BDBM50056874 (2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...) Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1 Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay				J Med Chem 40: 930-6 (1997) Article DOI: 10.1021/jm960754h BindingDB Entry DOI: 10.7270/Q24X56VR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056874 (2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...) Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1 Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay				J Med Chem 40: 930-6 (1997) Article DOI: 10.1021/jm960754h BindingDB Entry DOI: 10.7270/Q24X56VR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056874 (2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...) Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1 Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase enzyme by integration method				J Med Chem 40: 937-41 (1997) Article DOI: 10.1021/jm960755+ BindingDB Entry DOI: 10.7270/Q2154G4R
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056874 (2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...) Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1 Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase				Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50056874 (2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...) Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1 Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase enzyme by 3'-processing method				J Med Chem 40: 937-41 (1997) Article DOI: 10.1021/jm960755+ BindingDB Entry DOI: 10.7270/Q2154G4R
					More data for this Ligand-Target Pair