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BDBM50338065 3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-N,N-dimethylprop-2-yn-1-amine::CHEMBL1684667

SMILES: CN(C)CC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12

InChI Key: InChIKey=CATNPGATOOPPKF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338065   
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))
BDBM50338065
PNG
(3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES CN(C)CC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C19H17N5/c1-24(2)10-4-5-13-7-8-14-12-17(21-16(14)11-13)19-18-15(22-23-19)6-3-9-20-18/h3,6-9,11-12,21H,10H2,1-2H3,(H,22,23)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 110n/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