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 = 'BDBM20700'   

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))	BDBM20700 (Tertiary Amide Analog, 42 | sodium (3R,5R)-7-[1-(4...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H36FN3O5/c1-18(2)27-25(13-12-23(34)15-24(35)16-26(36)37)33(22-10-8-21(30)9-11-22)31-28(27)29(38)32(4)17-20-7-5-6-19(3)14-20/h5-11,14,18,23-24,34-35H,12-13,15-17H2,1-4H3,(H,36,37)/p-1/t23-,24-/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	6.10	n/a	0.600	n/a	n/a	7.2	37
Pfizer					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 31-45 (2008) Article DOI: 10.1021/jm070849r BindingDB Entry DOI: 10.7270/Q2VD6WRD
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