BDBM50282951 (1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((R)-4,6-dimethyl-octanoyloxy)-4,7-dihydroxy-3-(1-hydroxy-vinyl)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid::CHEMBL293562

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

InChI Key

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 = 50282951   

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50282951((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 44nMAssay 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