BDBM50221868 CHEMBL397137::nicotinic acid (1S,2R,3S,4S,5R,6R,7S,9R,12R)-4,12-diacetoxy-5,7-bis-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-3-yl ester

SMILES CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](OC(C)=O)[C@H](OC(=O)c4cccnc4)[C@@](C)(O)[C@@]13OC2(C)C

InChI Key InChIKey=BILLVHCBRMUWHZ-JYFWMKORSA-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 = 50221868   

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

Curated by ChEMBL
LigandPNGBDBM50221868(CHEMBL397137 | nicotinic acid (1S,2R,3S,4S,5R,6R,7...)
Affinity DataKi:  3.75E+3nMAssay Description:Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed