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 = 'BDBM50026167'   

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))	BDBM50026167 (6-[2-(3,5-Dichloro-3'-methyl-biphenyl-2-yl)-vinyl]...) Show SMILES Cc1cc(C)cc(c1)-c1cc(Cl)cc(Cl)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1 Show InChI InChI=1S/C21H20Cl2O3/c1-12-5-13(2)7-14(6-12)19-8-15(22)9-20(23)18(19)4-3-17-10-16(24)11-21(25)26-17/h3-9,16-17,24H,10-11H2,1-2H3/b4-3+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of solubilized partially purified rat liver HMG-CoA reductase				J Med Chem 29: 170-81 (1986) BindingDB Entry DOI: 10.7270/Q2RV0MQX
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