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

InChI Key InChIKey=GBXZADIMXAWJPG-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 = 50282951   

TargetSqualene synthase(Rat)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50282951BDBM50282951((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