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 = 'BDBM50160771'   

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))	BDBM50160771 ((E)-(3R,5S)-7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-p...) Show SMILES CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccncc1 Show InChI InChI=1S/C25H27FN2O4/c1-16(2)23-15-22(17-7-10-27-11-8-17)25(18-3-5-19(26)6-4-18)28(23)12-9-20(29)13-21(30)14-24(31)32/h3-12,15-16,20-21,29-30H,13-14H2,1-2H3,(H,31,32)/p-1/b12-9+/t20-,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase				Bioorg Med Chem Lett 15: 1027-32 (2005) Article DOI: 10.1016/j.bmcl.2004.12.042 BindingDB Entry DOI: 10.7270/Q2TB17N9
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