BDBM50285866 Acetic acid (3S,4S,6S,6aS,12R,12bS)-3,12-dihydroxy-4-hydroxymethyl-4,6a,12b-trimethyl-11-oxo-9-pyridin-3-yl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-7,10-dioxa-benzo[a]anthracen-6-yl ester::CHEMBL91306

SMILES CC(=O)O[C@H]1CC2C(C)(CO)[C@@H](O)CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1

InChI Key InChIKey=VEVRHRCWDFOGJW-UHFFFAOYSA-N

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 = 50285866   

TargetSterol O-acyltransferase 1(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50285866(Acetic acid (3S,4S,6S,6aS,12R,12bS)-3,12-dihydroxy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article