BDBM50282950 (1S,3R,4S,5R,6R,7R)-4,7-Dihydroxy-1-((4S,5R)-4-hydroxy-5-methyl-3-methylene-6-phenyl-hexyl)-3-(1-hydroxy-vinyl)-6-((S)-6-methyl-4-methyl-oct-2-enoyloxy)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid::CHEMBL412861

SMILES C=C(CC[C@]12O[C@H](CO)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]2O)[C@@H](O)[C@H](C)Cc1ccccc1

InChI Key InChIKey=ALLWMULFARBKMB-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 = 50282950   

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50282950BDBM50282950((1S,3R,4S,5R,6R,7R)-4,7-Dihydroxy-1-((4S,5R)-4-hyd...)
Affinity DataIC50: 21nMAssay Description:In vitro inhibition of rat squalene synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article