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 BTK
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Tec family
Uniprot ID
Q06187
Gene Name
BTK
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)  5
1
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.72 nM
   TI
   LI
   LO
   TS
3
IC50 = 2.12 nM
   TI
   LI
   LO
   TS
4
IC50 = 9 nM
   TI
   LI
   LO
   TS
5
Ki = 20.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.7 nM
2 IC50 = 1 nM
3 IC50 = 4.61 nM