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 = 'BDBM50280062'   

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 (Rattus norvegicus (rat))	BDBM50280062 (CHEMBL8886 | Sodium; (6E,8E)-9-(4-fluoro-phenyl)-3...) Show SMILES Cn1nnnc1\C(\C=C\C(O)CC(O)CC([O-])=O)=C\c1ccc(F)cc1 Show InChI InChI=1S/C17H19FN4O4/c1-22-17(19-20-21-22)12(8-11-2-5-13(18)6-3-11)4-7-14(23)9-15(24)10-16(25)26/h2-8,14-15,23-24H,9-10H2,1H3,(H,25,26)/p-1/b7-4+,12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against rat liver microsomal HMG-CoA reductase				Bioorg Med Chem Lett 2: 99-104 (1992) Article DOI: 10.1016/S0960-894X(00)80665-4 BindingDB Entry DOI: 10.7270/Q2X92B57
					More data for this Ligand-Target Pair