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SMILES: Cc1ccc(cc1C#Cc1cnc2c(N)cccn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1

InChI Key: InChIKey=PXFJXUWUMFORFW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322538   
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))		BDBM50322538
PNG
(3-[2-(8-Aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-N...)
Show SMILES Cc1ccc(cc1C#Cc1cnc2c(N)cccn12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1
Show InChI InChI=1S/C27H19F3N6O/c1-17-4-5-19(11-18(17)6-7-22-15-33-25-24(31)3-2-9-36(22)25)26(37)34-21-12-20(27(28,29)30)13-23(14-21)35-10-8-32-16-35/h2-5,8-16H,31H2,1H3,(H,34,37)
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n/an/a 2.30n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay

J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair