Brief Information of the Compound and Protein
Compound Name
 Compound Info 
BDBM50242742
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 PubChem ID
CID: 16038120
SID: 24420733
Canonical SMILES
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
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Compound Formula C30H40ClN7O3S
Compound Structure
Protein Name
 Protein Info 
Tyrosine-protein kinase ABL1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Abl family
Uniprot ID
P00519
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
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 1048 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 5.4 nM
2 Kd = 14 nM
3 Kd = 19 nM
4 Kd = 39 nM
5 Kd = 52 nM
6 Kd = 54 nM
7 Kd = 70 nM
8 Kd = 73 nM
9 Kd = 93 nM
10 Kd = 95 nM
11 Kd = 100 nM
12 Kd = 160 nM
13 Kd = 170 nM
14 Kd = 190 nM
15 Kd = 200 nM