Brief Information of the Compound and Protein
Compound Name
2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-aminopyrimidin-5-yl)methyleneamino)piperazin-1-yl)ethanol
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PubChem ID
CID: 44587569
Canonical SMILES
Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1
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Compound Formula C25H28FN9O
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 = 54 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM