BDBM50221877 CHEMBL397135::nicotinic acid (1R,2R,3S,4S,5R,6R,7S,9R)-4-acetoxy-7-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-5-[(E)-(3-phenyl-acryloyl)oxy]-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-3-yl ester

SMILES CC(=O)O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)\C=C\c1ccccc1)C(C)(C)O3

InChI Key InChIKey=QFBTXJKZWZKREH-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 = 50221877   

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

Curated by ChEMBL
LigandPNGBDBM50221877(nicotinic acid (1R,2R,3S,4S,5R,6R,7S,9R)-4-acetoxy...)
Affinity DataKi:  2.07E+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