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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 = 'BDBM50338099'   
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))
BDBM50338099
PNG
(3-(6-methyl-1H-indol-2-yl)-N-(1-methylpiperidin-4-...)
Show SMILES CN1CCC(CC1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C22H25N5/c1-14-3-4-15-12-21(24-20(15)11-14)22-18-13-17(5-6-19(18)25-26-22)23-16-7-9-27(2)10-8-16/h3-6,11-13,16,23-24H,7-10H2,1-2H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Article
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n/an/a 10n/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