BDBM50310826 6',7'-Dihydroxybergamottin Octanal Acetal::CHEMBL1078189

SMILES CCCCCCCC1O[C@H](CC\C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1

InChI Key InChIKey=AZUMWAWLOFIGCX-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 = 50310826   

TargetCytochrome P450 3A4(Human)
University of Sao Paulo State

Curated by ChEMBL
LigandPNGBDBM50310826(6',7'-Dihydroxybergamottin Octanal Acetal | CHEMBL...)
Affinity DataIC50: 130nMAssay Description:Inhibition of CYP3A4 after 30 mins by fluorescence microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed