BDBM50169021 2,10,10-trimethyl-4,5,12-tri(methylcarbonyloxy)-6-methylcarbonyloxymethyl-7,8-di(phenylcarbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecane::CHEMBL434717

SMILES C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C

InChI Key InChIKey=ZMFWEJXNCWIVOL-UHFFFAOYSA-N

Data  1 KI

  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 = 50169021   

TargetATP-dependent translocase ABCB1(Human)
Instituto Universitario De Bio-Organica Antonio Gonzalez

Curated by ChEMBL
LigandPNGBDBM50169021(2,10,10-trimethyl-4,5,12-tri(methylcarbonyloxy)-6-...)
Affinity DataKi:  1.71E+3nMAssay Description:Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed