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 = 'BDBM50346280'   

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))	BDBM50346280 (CHEMBL1782553 | sodium(3R,5R)-7-(5-cyclopropyl-2-(...) Show SMILES Cc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C2CC2)c1 |r| Show InChI InChI=1S/C28H32FN3O5/c1-17-3-2-4-18(13-17)16-30-28(37)25-26(19-5-6-19)32(12-11-22(33)14-23(34)15-24(35)36)27(31-25)20-7-9-21(29)10-8-20/h2-4,7-10,13,19,22-23,33-34H,5-6,11-12,14-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	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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