Brief Information of the Compound and Protein
Compound Name
2-[[5-chloro-2-[[2-(pyrrolidin-1-ylmethyl)-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
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PubChem ID
CID: 154640722
Canonical SMILES
CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCC4)[nH]c3c2)ncc1Cl
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Compound Formula C25H27ClN8O
Compound Structure
Protein Name
ALK tyrosine kinase receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TKL protein kinase group
>
TKL protein kinase STKR family
>
TKL protein kinase STKR Type 1 subfamily
Uniprot ID
Q9UM73
Gene Name
ALK
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 3.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 5.3 nM
   TI
   LI
   LO
   TS
3
IC50 = 13.3 nM
   TI
   LI
   LO
   TS