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BDBM50322541 CHEMBL1171085::N-{3-[2-[(Dimethylamino)methyl]-1H-imidazol-1-yl]-5-(trifluoromethyl)phenyl}-3-[2-(imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylbenzamide

SMILES: CN(C)Cc1nccn1-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccccn23)cc(c1)C(F)(F)F

InChI Key: InChIKey=QZYXEXGJVTZDIZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322541   
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))
BDBM50322541
PNG
(CHEMBL1171085 | N-{3-[2-[(Dimethylamino)methyl]-1H...)
Show SMILES CN(C)Cc1nccn1-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc3ccccn23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H25F3N6O/c1-20-7-8-22(14-21(20)9-10-25-18-35-27-6-4-5-12-38(25)27)29(40)36-24-15-23(30(31,32)33)16-26(17-24)39-13-11-34-28(39)19-37(2)3/h4-8,11-18H,19H2,1-3H3,(H,36,40)
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MMDB

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Similars

Article
PubMed
n/an/a 45n/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