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SMILES: COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1

InChI Key: InChIKey=LAAHHHDILCOULN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50490889   
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))		BDBM50490889
PNG
(CHEMBL2347723)
Show SMILES COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1
Show InChI InChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22)
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Article
PubMed
n/an/a 0.0640n/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