BDBM50221871 CHEMBL437009::benzoic acid (1S,2R,5S,6S,7S,8R,9R,12R)-5,12-diacetoxy-6-acetoxymethyl-2-hydroxy-2,10,10-trimethyl-8-pentyloxy-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester

SMILES CCCCCO[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@](C)(O)CC[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H]1OC(=O)c1ccccc1

InChI Key InChIKey=LYFCNJIUYNHKFP-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 = 50221871   

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

Curated by ChEMBL
LigandPNGBDBM50221871(benzoic acid (1S,2R,5S,6S,7S,8R,9R,12R)-5,12-diace...)
Affinity DataKi:  1.83E+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