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 = 'BDBM50007306'   

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))	BDBM50007306 (CHEMBL316938 | Sodium; 6-{2-[(4-fluoro-phenyl)-(4-...) Show SMILES COc1ccc(cc1)C(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C28H31FO6/c1-17-12-18(2)28(35-16-23(31)14-22(30)15-26(32)33)25(13-17)27(19-4-8-21(29)9-5-19)20-6-10-24(34-3)11-7-20/h4-13,22-23,27,30-31H,14-16H2,1-3H3,(H,32,33)/p-1/t22-,23?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
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