Brief Information of the Compound and Protein
Compound Name
AG-013736
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PubChem ID
CID: 6450551
SID: 26683791
Canonical SMILES
CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
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Compound Formula C22H18N4OS
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
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 Mus musculus (Mouse)  2
1
GI50 = 110 nM
   TI
   LI
   LO
   TS
2
GI50 = 120 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 1 nM
   TI
   LI
   LO
   TS
3
IC50 = 92 nM
   TI
   LI
   LO
   TS
4
IC50 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 1.5 nM
2 Kd = 3.6 nM
3 Kd = 20 nM
4 Kd = 23 nM
5 Kd = 36 nM
6 Kd = 63 nM
7 Kd = 84 nM
8 Kd = 200 nM
9 Kd = 230 nM
10 Kd = 290 nM
11 Kd = 330 nM
12 Kd = 800 nM
13 Kd = 830 nM
14 Kd = 2600 nM