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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 = 'BDBM50341540'   
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))
BDBM50341540
PNG
(3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)
PDB
MMDB

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Article
PubMed
120n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair