BDBM50221830 CHEMBL394980::nicotinic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-6-acetoxymethyl-7,12-bis-benzyloxy-2-hydroxy-2,10,10-trimethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-4-yl ester

SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OCc4ccccc4)[C@]1(OC3(C)C)[C@](C)(O)C[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)OCc1ccccc1

InChI Key

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 = 50221830   

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

Curated by ChEMBL
LigandPNGBDBM50221830(nicotinic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetox...)
Affinity DataKi:  580nMAssay 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