Brief Information of the Compound and Protein
Compound Name
(E)-N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-4-(dimethylamino)but-2-enamide
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PubChem ID
CID: 145977261
Canonical SMILES
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)\C=C\CN(C)C)c2)n1)N1CCN(C)CC1
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Compound Formula C28H34ClN7O3
Compound Structure
Protein Name
Tyrosine-protein kinase ABL1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Abl family
Uniprot ID
P00520
Gene Name
ABL1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 6020 nM
   TI
   LI
   LO
   TS
2
IC50 = 7020 nM
   TI
   LI
   LO
   TS