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 = 'BDBM18409'   

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))	BDBM18409 ((3R,5S)-6-[(3-{[(3,4-difluorophenyl)methyl](methyl...) Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H30F3N3O6/c1-15(2)24-25(26(38)32(3)13-16-4-9-21(29)22(30)10-16)31-33(18-7-5-17(28)6-8-18)27(24)39-14-20(35)11-19(34)12-23(36)37/h4-10,15,19-20,34-35H,11-14H2,1-3H3,(H,36,37)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...				Bioorg Med Chem Lett 17: 5567-72 (2007) Article DOI: 10.1016/j.bmcl.2007.08.004 BindingDB Entry DOI: 10.7270/Q2ZS2TS7
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