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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 = 'BDBM50338076'   
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))
BDBM50338076
PNG
(2-(1H-indazol-3-yl)-N-(2-methoxyethyl)-N-methyl-1H...)
Show SMILES COCCN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C20H20N4O2/c1-24(9-10-26-2)20(25)14-8-7-13-11-18(21-17(13)12-14)19-15-5-3-4-6-16(15)22-23-19/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
PDB
MMDB

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PC cid
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n/an/a 70n/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