BDBM50169027 Benzoic acid (1S,2R,4S,5R,6S,7S,9R,12R)-4,7,12-triacetoxy-6-acetoxymethyl-2,10,10-trimethyl-8-oxo-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-5-yl ester::CHEMBL190793

SMILES C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]2(COC(C)=O)[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C

InChI Key

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 = 50169027   

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

Curated by ChEMBL
LigandPNGBDBM50169027(Benzoic acid (1S,2R,4S,5R,6S,7S,9R,12R)-4,7,12-tri...)
Affinity DataKi:  5.74E+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