Brief Information of the Compound and Protein
Compound Name
 Compound Info 
BRANEBRUTINIB
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 PubChem ID
CID: 121293929
Canonical SMILES
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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Compound Formula C20H23FN4O2
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
CL000752 PBMC iPSC #1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 0.3 nM
   TI
   LI
   LO
   TS
CL000003 Ramos
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 7.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.1 nM
2 Kd = 0.56 nM
3 Ki = 116 nM