Brief Information of the Compound and Protein
Compound Name
 Compound Info 
IBRUTINIB
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 PubChem ID
CID: 24821094
SID: 49837088
Canonical SMILES
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
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Compound Formula C25H24N6O2
Compound Structure
Protein Name
 Protein Info 
Cytoplasmic tyrosine-protein kinase BMX
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Tec family
Uniprot ID
P51813
Gene Name
BMX
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 = 0.4 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 = 0.8 nM
3 IC50 = 1 nM
4 IC50 = 5.8 nM
5 Kd = 1.4 nM
6 Kd = 1.6 nM