BDBM50281058 (1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octanoyloxy)-1-((E)-(S)-3,5-dimethyl-6-phenyl-hex-3-enyl)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL83501

SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CC\C(C)=C\[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChI Key InChIKey=RMQPUKIVBHSFBZ-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 = 50281058   

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50281058((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...)
Affinity DataIC50: 63nMAssay Description:Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article