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BDBM50275553 4-cyano-N-(1-(3-methoxypropyl)-5-((methylamino)methyl)-1H-benzo[d]imidazol-2-yl)benzamide::CHEMBL520728

SMILES: CNCc1ccc2n(CCCOC)c(NC(=O)c3ccc(cc3)C#N)nc2c1

InChI Key: InChIKey=RDVRHRQZZGSSBR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275553   
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 ITK/TSK


(Homo sapiens (Human))
BDBM50275553
PNG
(4-cyano-N-(1-(3-methoxypropyl)-5-((methylamino)met...)
Show SMILES CNCc1ccc2n(CCCOC)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C21H23N5O2/c1-23-14-16-6-9-19-18(12-16)24-21(26(19)10-3-11-28-2)25-20(27)17-7-4-15(13-22)5-8-17/h4-9,12,23H,3,10-11,14H2,1-2H3,(H,24,25,27)
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MMDB

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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin) by DELPHIA assay


Bioorg Med Chem Lett 18: 5541-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.016
BindingDB Entry DOI: 10.7270/Q2ZC82PX
More data for this
Ligand-Target Pair