Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50176121'   

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)	BDBM50176121 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C21H18FNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(18-6-4-3-5-16(17)18)12-14-7-9-15(22)10-8-14/h3-10,13H,2,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176121 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C21H18FNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(18-6-4-3-5-16(17)18)12-14-7-9-15(22)10-8-14/h3-10,13H,2,11-12H2,1H3	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
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50176121 ((Z)-4-[1-(4-Fluoro-benzyl)-1H-indol-3-yl]-2-hydrox...) Show SMILES CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 Show InChI InChI=1S/C21H18FNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(18-6-4-3-5-16(17)18)12-14-7-9-15(22)10-8-14/h3-10,13H,2,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair