Brief Information of the Compound and Protein
Compound Name
N-[1-(3-Fluoro-benzyl)-1H-indazol-5-yl]-5-[(2,2,2-trifluoro-ethyl)-hydrazonomethyl]-pyrimidine-4,6-diamine
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PubChem ID
CID: 24897494
SID: 53781826
Canonical SMILES
Nc1ncnc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c1/C=N/NCC(F)(F)F
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Compound Formula C21H18F4N8
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 = 258 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM