BDBM50281083 (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid 5-methyl ester::CHEMBL87705

SMILES COC(=O)[C@]12O[C@](CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)(O[C@H](C(O)=O)[C@@]1(O)C(O)=O)[C@H](O)[C@H]2O

InChI Key InChIKey=FWIQPIOSUVGMRY-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281083   

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50281083((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibitory activity measured against rat squalene synthase(SQS) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article