BDBM50038104 (6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-1-((4S,5R)-5-methyl-3-methylene-6-phenyl-4-propionyloxy-hexyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL339013

SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(=O)CC)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O

InChI Key InChIKey=JXFBQWQWHQFZTC-UHFFFAOYSA-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 = 50038104   

TargetSqualene synthase(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50038104((6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy...)
Affinity DataIC50: 0.420nMAssay Description:Tested for inhibition against squalene synthase enzyme in rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed