Brief Information of the Compound and Protein
Compound Name
 Compound Info 
IBRUTINIB
    Show/Hide
 PubChem ID
CID: 24821094
SID: 49837088
Canonical SMILES
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
    Show/Hide
Compound Formula C25H24N6O2
Compound Structure
Protein Name
 Protein Info 
Tyrosine-protein kinase Tec
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Tec family
Uniprot ID
P42680
Gene Name
TEC
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 46.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 IC50 = 0.57 nM
3 IC50 = 1.86 nM
4 IC50 = 4.34 nM
5 IC50 = 7 nM
6 IC50 = 10 nM
7 IC50 = 77.8 nM
8 Kd = 1 nM
9 Kd = 1.7 nM