Brief Information of the Compound and Protein
Compound Name
3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[4-(piperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Canonical SMILES
COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12
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Compound Formula C30H35N9O
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
CL000216 NCI-N87 Homo sapiens (Human)  1
1
EC50 = 210 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 44 nM