BDBM50281118 (1S,3S,4S,5R,6R,7R)-6,7-Diacetoxy-1-((4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4-hydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::CHEMBL89470

SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](OC(C)=O)[C@H]1OC(C)=O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

InChI Key InChIKey=WREJHQHCOHIGLU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50281118   

TargetSqualene synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50281118((1S,3S,4S,5R,6R,7R)-6,7-Diacetoxy-1-((4S,5R)-4-ace...)
Affinity DataIC50: 200nMAssay Description:Inhibition of Candida albicans squalene synthase(SQS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50281118((1S,3S,4S,5R,6R,7R)-6,7-Diacetoxy-1-((4S,5R)-4-ace...)
Affinity DataIC50: 56nMAssay Description:Inhibition of rat liver squalene synthase(SQS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article