BDBM50242254 CHEMBL4104354

SMILES CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cn(CCOCCOCCOCCOCCOCCn3cc(COC(=O)C4=C(C)NC(C)=C(C(=O)OCC)C4c4c(-c5ccc(Br)cc5)noc4C)nn3)nn2)C1c1c(-c2ccc(Br)cc2)noc1C

InChI Key InChIKey=XZJALWZAKPYVSJ-UHFFFAOYSA-N

Data  1 IC50

  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 = 50242254   

TargetATP-dependent translocase ABCB1(Human)
University of Montana

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242254BDBM50242254(CHEMBL4104354)
Affinity DataIC50: 1.39E+3nMAssay Description:Inhibition of MDR-1 in human Caco-2 cells after 30 mins by calcein-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2019
Entry Details Article
PubMed