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 = 'BDBM50007280'   

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))	BDBM50007280 (CHEMBL100560 | Sodium; 6-{2-[1-(4-fluoro-phenyl)-e...) Show SMILES CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C22H27FO5/c1-13-8-14(2)22(28-12-19(25)10-18(24)11-21(26)27)20(9-13)15(3)16-4-6-17(23)7-5-16/h4-9,15,18-19,24-25H,10-12H2,1-3H3,(H,26,27)/p-1/t15?,18-,19?/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	160	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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