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 = 'BDBM50006413'   

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 (Homo sapiens (Human))	BDBM50006413 (CHEMBL65037 | Sodium; 7-[5-(4-fluoro-phenyl)-3-iso...) Show SMILES CC(C)c1nn(c(c1CCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1 Show InChI InChI=1S/C24H28FN3O4/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21/h3-9,12,15,18-19,29-30H,10-11,13-14H2,1-2H3,(H,31,32)/p-1/t18?,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 35: 2095-103 (1992) BindingDB Entry DOI: 10.7270/Q2HH6KN8
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