BDBM50221829 CHEMBL413452::benzoic acid (1S,2R,3S,4R,5R,6S,7S,9R,12R)-3,4,7,12-tetraacetoxy-6-acetoxymethyl-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-5-yl ester

SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@](C)(O)[C@]11OC(C)(C)[C@@H]([C@H]1OC(C)=O)C(=O)[C@H]2OC(C)=O

InChI Key InChIKey=HNMUJSYNSSRGMA-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 = 50221829   

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

Curated by ChEMBL
LigandPNGBDBM50221829(benzoic acid (1S,2R,3S,4R,5R,6S,7S,9R,12R)-3,4,7,1...)
Affinity DataKi:  6.52E+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