BDBM50051871 (1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-3-guanidinomethyl-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid::CHEMBL30334

SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-[#6@H](-[#6])\[#6]=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6@@H](-[#8])[C@]2([#6]-[#6]-[#6](=[#6])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6])-[#6]-c3ccccc3)[#8][C@@]1([#6](-[#8])=O)[C@@]([#8])([#6@@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#8]2)[#6](-[#8])=O

InChI Key InChIKey=LQYKBLRCJTUHKG-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 = 50051871   

TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051871((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 65nMAssay Description:In vitro inhibitory activity against Squalene synthase from ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed