Brief Information of the Compound and Protein
Compound Name
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-(4-methylpiperazin-1-yl)iminomethyl]pyrimidine-4,6-diamine
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PubChem ID
CID: 24897278
SID: 53781603
Canonical SMILES
CN1CCN(CC1)\N=C\c1c(N)ncnc1Nc1ccc2n(Cc3cccc(F)c3)ncc2c1
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Compound Formula C24H26FN9
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 = 509 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM