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SMILES: CCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1

InChI Key: InChIKey=HZTRFYKKMCHMIG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50490933   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50490933
PNG
(CHEMBL2347731)
Show SMILES CCc1ccccc1-c1ccc2nc(NC(=O)NCCN(C)C)sc2c1
Show InChI InChI=1S/C20H24N4OS/c1-4-14-7-5-6-8-16(14)15-9-10-17-18(13-15)26-20(22-17)23-19(25)21-11-12-24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,21,22,23,25)
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n/an/a 0.770n/an/an/an/an/an/a



Korea Institute of Science and Technology (KAIST)

Curated by ChEMBL


Assay Description
Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase...

J Med Chem 56: 3531-45 (2013)


Article DOI: 10.1021/jm301891t
BindingDB Entry DOI: 10.7270/Q2BG2RW2
More data for this
Ligand-Target Pair