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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 = 'BDBM50212782'   
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))		BDBM50212782
PNG
(CHEMBL232965 | N-cyclohexyl-N-methyl-2-(thiophene-...)
Show SMILES CN(C1CCCCC1)C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1
Show InChI InChI=1S/C20H22N4O2S/c1-24(14-6-3-2-4-7-14)19(26)13-9-10-15-16(12-13)22-20(21-15)23-18(25)17-8-5-11-27-17/h5,8-12,14H,2-4,6-7H2,1H3,(H2,21,22,23,25)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ITK by DELFIA assay

Bioorg Med Chem Lett 17: 3660-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.045
BindingDB Entry DOI: 10.7270/Q2CV4HF6
More data for this
Ligand-Target Pair