BDBM50221863 (1S,2R,4S,5R,6S,7S,8R,9R,12R)-12-(acetyloxy)-6-[(acetyloxy)methyl]-4,5,8-tris(benzoyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate::CHEMBL412596

SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[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=DKUCORZJNCHLSI-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 = 50221863   

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

Curated by ChEMBL
LigandPNGBDBM50221863((1S,2R,4S,5R,6S,7S,8R,9R,12R)-12-(acetyloxy)-6-[(a...)
Affinity DataKi:  1.98E+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