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SMILES: C1CCCN(CC1)c1ncnc2n(\C=C\c3ccccc3)ncc12

InChI Key: InChIKey=LKWOWGJITRMUOK-JLHYYAGUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186220   
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))		BDBM50186220
PNG
(CHEMBL3823628)
Show SMILES C1CCCN(CC1)c1ncnc2n(\C=C\c3ccccc3)ncc12
Show InChI InChI=1S/C19H21N5/c1-2-7-12-23(11-6-1)18-17-14-22-24(19(17)21-15-20-18)13-10-16-8-4-3-5-9-16/h3-5,8-10,13-15H,1-2,6-7,11-12H2/b13-10+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Allosteric inhibition of recombinant human N-terminal His6-tagged ABL (27-end residues) T315I mutant expressed in baculovirus infected sf21 cells usi...

Bioorg Med Chem Lett 26: 3436-40 (2016)


BindingDB Entry DOI: 10.7270/Q22N547G
More data for this
Ligand-Target Pair