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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50338058'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50338058
PNG
(CHEMBL1684656 | N1,N1-dimethyl-N2-(3-(6-methyl-1H-...)
Show SMILES CC(CN(C)C)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H25N5/c1-13-5-6-15-10-20(23-19(15)9-13)21-17-11-16(7-8-18(17)24-25-21)22-14(2)12-26(3)4/h5-11,14,22-23H,12H2,1-4H3,(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay

Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair