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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 = 'BDBM50338049'   
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))
BDBM50338049
PNG
(CHEMBL1684516 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C17H16N4O2S/c1-10-3-4-11-8-16(18-15(11)7-10)17-13-9-12(21-24(2,22)23)5-6-14(13)19-20-17/h3-9,18,21H,1-2H3,(H,19,20)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 36n/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