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 = 'BDBM22153'   

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))	BDBM22153 ((3R,5S,6E)-7-{2-[(3-tert-butyl-1-methyl-1H-pyrazol...) Show SMILES CC(C)c1nc(Nc2cc(nn2C)C(C)(C)C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C28H36FN5O4/c1-16(2)25-21(12-11-19(35)13-20(36)14-24(37)38)26(17-7-9-18(29)10-8-17)32-27(31-25)30-23-15-22(28(3,4)5)33-34(23)6/h7-12,15-16,19-20,35-36H,13-14H2,1-6H3,(H,37,38)(H,30,31,32)/b12-11+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.4	n/a	1.90	n/a	n/a	7.0	37
Bristol-Myers Squibb Company					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: 2722-33 (2008) Article DOI: 10.1021/jm800001n BindingDB Entry DOI: 10.7270/Q2FT8JB2
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