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 = 'BDBM20691'   

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))	BDBM20691 (pyrazole-based inhibitor, 34 | sodium (3R,5R)-7-[1...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(F)cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H31F2N3O5/c1-16(2)25-23(12-11-21(33)13-22(34)14-24(35)36)32(20-9-7-19(29)8-10-20)31-26(25)27(37)30-15-17-3-5-18(28)6-4-17/h3-10,16,21-22,33-34H,11-15H2,1-2H3,(H,30,37)(H,35,36)/p-1/t21-,22-/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	3.80	n/a	0.700	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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