BDBM50221834 (1S,2R,4S,5R,6R,7S,9R,12R)-12-(acetyloxy)-6-[(acetyloxy)methyl]-4-[(furan-2-yl)carbonyloxy]-2-hydroxy-2,10,10-trimethyl-5-(pentyloxy)-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl furan-2-carboxylate::CHEMBL394979

SMILES CCCCCO[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)c1ccco1

InChI Key InChIKey=JHVUZRGIXVLEAG-WCIXNYCWSA-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 = 50221834   

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

Curated by ChEMBL
LigandPNGBDBM50221834((1S,2R,4S,5R,6R,7S,9R,12R)-12-(acetyloxy)-6-[(acet...)
Affinity DataKi:  1.94E+3nMAssay Description:Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed