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BDBM50341544 3-(4-(Piperidin-1-yl)phenylcarbamoyl)-5-(pyridin-4-yl)-(1H)-pyridin-2-one::CHEMBL1765785

SMILES: O=C(Nc1ccc(cc1)N1CCCCC1)c1cc(c[nH]c1=O)-c1ccncc1

InChI Key: InChIKey=WAIOVSUPNWJFNW-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50341544
PNG
(3-(4-(Piperidin-1-yl)phenylcarbamoyl)-5-(pyridin-4...)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)c1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C22H22N4O2/c27-21-20(14-17(15-24-21)16-8-10-23-11-9-16)22(28)25-18-4-6-19(7-5-18)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,24,27)(H,25,28)
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MMDB

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Article
PubMed
140n/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