Brief Information of the Compound and Protein
Compound Name
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-nitrobenzamide
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PubChem ID
CID: 20646970
Canonical SMILES
[O-][N+](=O)c1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1
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Compound Formula C24H23N3O3
Compound Structure
Protein Name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein Classification
Transporter
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Primary active transporter
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ATP-binding cassette
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ABCG subfamily
Uniprot ID
Q9UNQ0
Gene Name
ABCG2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 79432.82 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 51300 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 45700 nM
   TI
   LI
   LO
   TS