BDBM50003236 2,2-Dimethyl-butyric acid 2-hydroxymethyl-8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::CHEMBL3349828

SMILES CCC(C)(C)C(=O)O[C@H]1[C@H](CO)[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12

InChI Key InChIKey=JQAOQCLURTZPSU-ZWSGPUNISA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003236   

Target3-hydroxy-3-methylglutaryl-coenzyme A reductase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50003236(2,2-Dimethyl-butyric acid 2-hydroxymethyl-8-[2-(4-...)
Affinity DataIC50:  11nMAssay Description:The compound was tested in vitro for inhibitory activity against HMG-CoA reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed