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BDBM50322569 CHEMBL1172719::N-{3-Cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methylbenzamide

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1

InChI Key: InChIKey=DCAPWVKXVRKJLK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322569   
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))
BDBM50322569
PNG
(CHEMBL1172719 | N-{3-Cyclopropyl-4-[(4-methylpiper...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1
Show InChI InChI=1S/C31H32N6O/c1-22-5-6-25(18-24(22)10-12-28-20-32-30-4-3-13-33-37(28)30)31(38)34-27-11-9-26(29(19-27)23-7-8-23)21-36-16-14-35(2)15-17-36/h3-6,9,11,13,18-20,23H,7-8,14-17,21H2,1-2H3,(H,34,38)
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MMDB

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Similars

Article
PubMed
n/an/a 5.30n/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