BDBM50221828 (1S,2R,4S,5R,6R,7R,8S,9R,12R)-12-(acetyloxy)-4,5-bis(benzoyloxy)-2,8-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate::CHEMBL411881

SMILES CC(=O)O[C@@H]1[C@H]2[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1

InChI Key InChIKey=GCEVIODPDGBRSE-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 = 50221828   

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

Curated by ChEMBL
LigandPNGBDBM50221828((1S,2R,4S,5R,6R,7R,8S,9R,12R)-12-(acetyloxy)-4,5-b...)
Affinity DataKi:  1.21E+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