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 = 'BDBM50304661'   

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))	BDBM50304661 (4R,6S)-6-[(E)-2-(2-cyclopropyl-6-fluoro-4,7-di(3-m...) Show SMILES COc1cccc(Sc2cc3nc(C4CC4)c(\C=C\[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4cccc(OC)c4)c3cc2F)c1 |r| Show InChI InChI=1S/C33H30FNO5S2/c1-38-21-5-3-7-24(15-21)41-30-18-29-27(17-28(30)34)33(42-25-8-4-6-22(16-25)39-2)26(32(35-29)19-9-10-19)12-11-23-13-20(36)14-31(37)40-23/h3-8,11-12,15-20,23,36H,9-10,13-14H2,1-2H3/b12-11+/t20-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Industry Curated by ChEMBL					Assay Description Inhibition of HMG CoA reductase by spectrophotometry				Bioorg Med Chem 17: 7915-23 (2009) Article DOI: 10.1016/j.bmc.2009.10.021 BindingDB Entry DOI: 10.7270/Q2D50NX1
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