BDBM50281070 (1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octanoyloxy)-4,7-dihydroxy-1-((E)-(4R,5S)-4-hydroxy-3,5-dimethyl-6-phenyl-hex-2-enyl)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL82947

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

InChI Key InChIKey=YEGHFZACJRHPBH-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 = 50281070   

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50281070((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...)
Affinity DataIC50: 17nMAssay 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