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BDBM50338056 1-methyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-yl)-1H-imidazole-4-sulfonamide::CHEMBL1684524

SMILES: Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cn(C)cn3)cc12

InChI Key: InChIKey=HYFOPUFXONUVJV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338056   
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))
BDBM50338056
PNG
(1-methyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cn(C)cn3)cc12
Show InChI InChI=1S/C20H18N6O2S/c1-12-3-4-13-8-18(22-17(13)7-12)20-15-9-14(5-6-16(15)23-24-20)25-29(27,28)19-10-26(2)11-21-19/h3-11,22,25H,1-2H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 26n/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