Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9447106, 27b (peak 2)
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 PubChem ID
CID: 135565884
Canonical SMILES
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
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Compound Formula C27H29N5O3
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 = 3477 nM
   TI
   LI
   LO
   TS
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 65.9 nM
   TI
   LI
   LO
   TS
2
IC50 = 202.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM
2 IC50 = 56 nM
3 IC50 = 3477 nM
4 Kd = 30000 nM