BDBM50221831 CHEMBL394284::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-4,5-diacetoxy-12-dodecanoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester

SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O

InChI Key InChIKey=ZRMBWKODPINHJF-ZQLVPLGJSA-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 = 50221831   

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

Curated by ChEMBL
LigandPNGBDBM50221831(CHEMBL394284 | furan-2-carboxylic acid (1S,2R,4S,5...)
Affinity DataKi:  800nMAssay Description:Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed