Brief Information of the Compound and Protein
Compound Name
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
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PubChem ID
CID: 11364421
SID: 16456896
Canonical SMILES
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
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Compound Formula C28H39N7O3
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 890 nM
   TI
   LI
   LO
   TS
CL000727 Kelly Homo sapiens (Human)  1
1
IC50 > 9400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 180 nM
2 IC50 = 390 nM
3 Kd = 160 nM