Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[(2S)-2-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-[6-(methylamino)pyrazin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]pyrrolidin-1-yl]prop-2-en-1-one
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 PubChem ID
CID: 155552710
Canonical SMILES
CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc(OC[C@@H]3CCCN3C(=O)C=C)c12
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Compound Formula C31H36N10O3
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
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7.8 nM
   TI
   LI
   LO
   TS