BDBM50221864 CHEMBL438677::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-4-benzoyloxy-12-(2,2-dimethyl-propionyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-xa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester

SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(C)(C)C)OC(=O)c1ccccc1

InChI Key InChIKey=WNXMTDUOZWCBKX-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 = 50221864   

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

Curated by ChEMBL
LigandPNGBDBM50221864(furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)...)
Affinity DataKi:  1.04E+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