BDBM50242260 CHEMBL4084565

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(-c5ccccc5)noc4C)nn3)nn2)C1c1c(-c2ccccc2)noc1C

InChI Key InChIKey=BWOFJGLIPMRXRZ-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 = 50242260   

TargetATP-dependent translocase ABCB1(Human)
University of Montana

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242260BDBM50242260(CHEMBL4084565)
Affinity DataIC50: 1.00E+4nMAssay 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