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 = 'BDBM50321106'   

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))	BDBM50321106 (CHEMBL1163146 | FGF(4-fluro)VAE) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C33H43FN6O9/c1-18(2)28(32(47)37-19(3)29(44)39-24(33(48)49)13-14-27(42)43)40-31(46)25(16-21-9-11-22(34)12-10-21)38-26(41)17-36-30(45)23(35)15-20-7-5-4-6-8-20/h4-12,18-19,23-25,28H,13-17,35H2,1-3H3,(H,36,45)(H,37,47)(H,38,41)(H,39,44)(H,40,46)(H,42,43)(H,48,49)/t19-,23-,24-,25-,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of the Chemistry of Plant Substances Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase by spectrophotometry				Bioorg Med Chem 18: 4300-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.090 BindingDB Entry DOI: 10.7270/Q2VM4CFG
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