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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 = 'BDBM50341534'   
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))
BDBM50341534
PNG
(3-Phenylacetamido-5-(pyridin-4-yl)-(1H)-pyridin-2-...)
Show SMILES O=C(Cc1ccccc1)Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C18H15N3O2/c22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14/h1-9,11-12H,10H2,(H,20,23)(H,21,22)
PDB
MMDB

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Similars

Article
PubMed
>3.00E+4n/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