Brief Information of the Compound and Protein
Compound Name
(1S,2S)-2-[3-(diethylaminomethyl)-4-methoxyphenyl]-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
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PubChem ID
CID: 72544389
Canonical SMILES
CCN(CC)Cc1cc(ccc1OC)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1
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Compound Formula C26H29N5O2S
Compound Structure
Protein Name
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 Homo sapiens (Human)  1
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.5 nM