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BDBM50338079 2-(1H-indazol-3-yl)-N-((1-methyl-1H-imidazol-5-yl)methyl)-1H-indole-6-carboxamide::CHEMBL1684681

SMILES: Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12

InChI Key: InChIKey=HBJMKUYTZWSYAD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338079   
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))
BDBM50338079
PNG
(2-(1H-indazol-3-yl)-N-((1-methyl-1H-imidazol-5-yl)...)
Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C21H18N6O/c1-27-12-22-10-15(27)11-23-21(28)14-7-6-13-8-19(24-18(13)9-14)20-16-4-2-3-5-17(16)25-26-20/h2-10,12,24H,11H2,1H3,(H,23,28)(H,25,26)
PDB
MMDB

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Article
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n/an/a 20n/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