Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50141231'   

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)	BDBM50141231 (4-[2-(3-Formyl-2,4-dihydroxy-6-methyl-phenyl)-2-ox...) Show SMILES COC(=O)c1ccc(CC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O Show InChI InChI=1S/C19H18O7/c1-9-6-14(21)13(8-20)18(24)16(9)15(22)7-11-4-5-12(19(25)26-3)17(23)10(11)2/h4-6,8,21,23-24H,7H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+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
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