Brief Information of the Compound and Protein
Compound Name
 Compound Info 
SPEBRUTINIB
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 PubChem ID
CID: 59174488
SID: 163515657
Canonical SMILES
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
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Compound Formula C22H22FN5O3
Compound Structure
Protein Name
 Protein Info 
Tyrosine-protein kinase JAK3
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase JakB family
Uniprot ID
P52333
Gene Name
JAK3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 22.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 66.5 nM
   TI
   LI
   LO
   TS
3
IC50 = 1753 nM
   TI
   LI
   LO
   TS