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 = 'BDBM50304656'   

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))	BDBM50304656 ((4R,6S)-6-((E)-2-(2-cyclopropyl-4-(4-fluorophenylt...) Show SMILES COc1ccc2nc(C3CC3)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(Sc3ccc(F)cc3)c2c1 |r| Show InChI InChI=1S/C26H24FNO4S/c1-31-18-7-11-23-22(14-18)26(33-20-8-4-16(27)5-9-20)21(25(28-23)15-2-3-15)10-6-19-12-17(29)13-24(30)32-19/h4-11,14-15,17,19,29H,2-3,12-13H2,1H3/b10-6+/t17-,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	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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