BDBM50221819 CHEMBL234548::nicotinic acid (1R,2R,3S,4S,5R,6R,7R,8S,9S)-3,4-diacetoxy-7,8-bis-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-5-yl ester

SMILES CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@]23C[C@@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1cccnc1)C(C)(C)O3

InChI Key InChIKey=VSEGGASILQCUMU-AHNIPBHDSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50221819   

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

Curated by ChEMBL
LigandPNGBDBM50221819(CHEMBL234548 | nicotinic acid (1R,2R,3S,4S,5R,6R,7...)
Affinity DataKi:  1.45E+3nMAssay Description:Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed