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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 = 'BDBM50338084'   
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))
BDBM50338084
PNG
(3-(6-benzyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyrid...)
Show SMILES C(c1ccccc1)c1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C21H16N4/c1-2-5-14(6-3-1)11-15-8-9-16-13-19(23-18(16)12-15)21-20-17(24-25-21)7-4-10-22-20/h1-10,12-13,23H,11H2,(H,24,25)
PDB
MMDB

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PC cid
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Article
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n/an/a 210n/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