Brief Information of the Compound and Protein
Compound Name
2-bromo-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
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Canonical SMILES
Cc1cc(Nc2ccc(C#N)c(Br)c2)nc(n1)-c1ccccc1
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Compound Formula C18H13BrN4
Compound Structure
Protein Name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein Classification
Transporter
>
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
CL000036 MDCK-II Canis lupus familiaris (Dog)  3
1
EC50 = 15 nM
   TI
   LI
   LO
   TS
2
IC50 = 59.4 nM
   TI
   LI
   LO
   TS
3
IC50 = 119 nM
   TI
   LI
   LO
   TS