BDBM50221870 CHEMBL266342::benzoic acid (1S,2R,3R,4R,5R,6R,7S,9R)-3-acetoxy-4-hydroxy-2,6,10,10-tetramethyl-7-(3-phenyl-acryloyloxy)-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-5-yl ester

SMILES C[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@H](C[C@@H]3C[C@]12OC3(C)C)OC(=O)\C=C\c1ccccc1

InChI Key InChIKey=IYPAPAPBVAKARI-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 = 50221870   

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

Curated by ChEMBL
LigandPNGBDBM50221870(benzoic acid (1S,2R,3R,4R,5R,6R,7S,9R)-3-acetoxy-4...)
Affinity DataKi:  4.25E+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