BDBM50221843 CHEMBL234332::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-4-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-12-(naphthalen-2-yloxy)-11-oxa-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)c1cccc2ccccc12)OC(=O)c1ccccc1

InChI Key InChIKey=VPDYLDIRNIBTIL-XZTRIHAISA-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 = 50221843   

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

Curated by ChEMBL
LigandPNGBDBM50221843(CHEMBL234332 | furan-2-carboxylic acid (1S,2R,4S,5...)
Affinity DataKi:  4.59E+3nMAssay Description:Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed