Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50187759'   

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)	BDBM50187759 (7-(4-fluorobenzyl)-9-hydroxy-8-oxo-N-(pyridin-2-yl...) Show SMILES Oc1c2C(=O)N(Cc3ccc(F)cc3)Cc2c(C(=O)NCc2ccccn2)c2cccnc12 Show InChI InChI=1S/C25H19FN4O3/c26-16-8-6-15(7-9-16)13-30-14-19-20(24(32)29-12-17-4-1-2-10-27-17)18-5-3-11-28-22(18)23(31)21(19)25(30)33/h1-11,31H,12-14H2,(H,29,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Cyprus Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 17: 4806-18 (2009) Article DOI: 10.1016/j.bmc.2009.04.058 BindingDB Entry DOI: 10.7270/Q2R49TKS
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50187759 (7-(4-fluorobenzyl)-9-hydroxy-8-oxo-N-(pyridin-2-yl...) Show SMILES Oc1c2C(=O)N(Cc3ccc(F)cc3)Cc2c(C(=O)NCc2ccccn2)c2cccnc12 Show InChI InChI=1S/C25H19FN4O3/c26-16-8-6-15(7-9-16)13-30-14-19-20(24(32)29-12-17-4-1-2-10-27-17)18-5-3-11-28-22(18)23(31)21(19)25(30)33/h1-11,31H,12-14H2,(H,29,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of HIV integrase				Bioorg Med Chem Lett 16: 3989-92 (2006) Article DOI: 10.1016/j.bmcl.2006.05.016 BindingDB Entry DOI: 10.7270/Q29K49T8
					More data for this Ligand-Target Pair