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 = 'BDBM50296077'   

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 (Rattus norvegicus (rat))	BDBM50296077 (CHEMBL560523 | sodium(3R,5S,E)-7-(2'-fluoro-5-(3-p...) Show SMILES CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccccc1F |r| Show InChI InChI=1S/C30H33FO4/c1-3-30(4-2,22-10-6-5-7-11-22)23-16-14-21(15-17-24(32)19-25(33)20-29(34)35)27(18-23)26-12-8-9-13-28(26)31/h5-18,24-25,32-33H,3-4,19-20H2,1-2H3,(H,34,35)/p-1/b17-15+/t24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA				Bioorg Med Chem Lett 19: 4228-31 (2009) Article DOI: 10.1016/j.bmcl.2009.05.100 BindingDB Entry DOI: 10.7270/Q22F7PCK
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