Brief Information of the Compound and Protein
Compound Name
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-4,6-diamine
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Canonical SMILES
COc1ccc(cc1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
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Compound Formula C26H22FN7O
Compound Structure
Protein Name
Receptor tyrosine-protein kinase erbB-2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P04626
Gene Name
ERBB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000261 SK-BR-3 Homo sapiens (Human)  1
1
IC50 = 1291 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 118 nM