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BDBM50322549 3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide::CHEMBL1169881

SMILES: CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccccn23)cc1C(F)(F)F

InChI Key: InChIKey=CQKLZUWHJYAEJS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322549   
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))
BDBM50322549
PNG
(3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl...)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccccn23)cc1C(F)(F)F
Show InChI InChI=1S/C30H27F3N4O2/c1-20-6-7-22(17-21(20)8-10-24-19-34-28-5-3-4-14-37(24)28)29(38)35-23-9-11-27(26(18-23)30(31,32)33)39-25-12-15-36(2)16-13-25/h3-7,9,11,14,17-19,25H,12-13,15-16H2,1-2H3,(H,35,38)
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Article
PubMed
n/an/a 9.10n/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