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 = 'BDBM50346275'   

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))	BDBM50346275 (CHEMBL1782547 | sodium(3R,5R)-7-(4-(benzylcarbamoy...) Show SMILES CCc1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C26H30FN3O5/c1-2-22-24(26(35)28-16-17-6-4-3-5-7-17)29-25(18-8-10-19(27)11-9-18)30(22)13-12-20(31)14-21(32)15-23(33)34/h3-11,20-21,31-32H,2,12-16H2,1H3,(H,28,35)(H,33,34)/p-1/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrat...				Bioorg Med Chem Lett 21: 2725-31 (2011) Article DOI: 10.1016/j.bmcl.2010.11.103 BindingDB Entry DOI: 10.7270/Q2H995J1
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