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BDBM50338101 1-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)butan-2-one::CHEMBL1684663

SMILES: CCC(=O)Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12

InChI Key: InChIKey=TWNPQKJVEQBRIX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338101   
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))
BDBM50338101
PNG
(1-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES CCC(=O)Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C18H16N4O/c1-2-13(23)8-11-5-6-12-10-16(20-15(12)9-11)18-17-14(21-22-18)4-3-7-19-17/h3-7,9-10,20H,2,8H2,1H3,(H,21,22)
PDB
MMDB

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n/an/a 100n/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