Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[4-amino-1-[(3R)-1-[(E)-4-[4-(2-aminoethyl)piperazin-1-yl]but-2-enoyl]piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)benzamide
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 PubChem ID
CID: 71453784
SID: 163503181
Canonical SMILES
CC(C)c1ccc(NC(=O)c2cccc(c2)-c2nn([C@@H]3CCCN(C3)C(=O)\C=C\CN3CCN(CCN)CC3)c3ncnc(N)c23)cc1
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Compound Formula C36H46N10O2
Compound Structure
Protein Name
 Protein Info 
Tyrosine-protein kinase ITK/TSK
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Tec family
Uniprot ID
Q08881
Gene Name
ITK
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 100 nM