BDBM50221853 CHEMBL411882::nicotinic acid (1S,2R,4S,5R,6S,7R,8S,9R,12R)-8,12-diacetoxy-5,7-bis-benzoyloxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-4-yl ester

SMILES C[C@@H]1C[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C

InChI Key InChIKey=BQVGZDYZYXCBOZ-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 = 50221853   

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

Curated by ChEMBL
LigandPNGBDBM50221853(nicotinic acid (1S,2R,4S,5R,6S,7R,8S,9R,12R)-8,12-...)
Affinity DataKi:  7.72E+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