Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50321263'   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Schizosaccharomyces pombe)	BDBM50321263 (CHEMBL1163917 | ethyl 2-(4-allyl-2-methoxyphenoxy)...) Show SMILES CCOC(=O)COc1ccc(CC=C)cc1OC Show InChI InChI=1S/C14H18O4/c1-4-6-11-7-8-12(13(9-11)16-3)18-10-14(15)17-5-2/h4,7-9H,1,5-6,10H2,2-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional (IPN) Curated by ChEMBL					Assay Description Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry				Bioorg Med Chem 18: 4238-48 (2010) Article DOI: 10.1016/j.bmc.2010.04.096 BindingDB Entry DOI: 10.7270/Q2KW5H0Z
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