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 = 'BDBM50011208'   

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))	BDBM50011208 (7-[4-(4-Fluoro-phenyl)-2-isopropyl-6-methyl-1-oxy-...) Show SMILES [Na+].CC(C)c1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(cc(C)[n+]1[O-])-c1ccc(F)cc1 Show InChI InChI=1S/C22H26FNO5.Na/c1-13(2)22-19(9-8-17(25)11-18(26)12-21(27)28)20(10-14(3)24(22)29)15-4-6-16(23)7-5-15;/h4-10,13,17-18,25-26H,11-12H2,1-3H3,(H,27,28);/q;+1/p-1/b9-8+;/t17-,18-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.				J Med Chem 34: 463-6 (1991) BindingDB Entry DOI: 10.7270/Q2MS3TC4
					More data for this Ligand-Target Pair