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BDBM50338053 4-fluoro-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-yl)benzenesulfonamide::CHEMBL1684520

SMILES: Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12

InChI Key: InChIKey=NIPVKWUEIRPSLY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338053   
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))
BDBM50338053
PNG
(4-fluoro-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C22H17FN4O2S/c1-13-2-3-14-11-21(24-20(14)10-13)22-18-12-16(6-9-19(18)25-26-22)27-30(28,29)17-7-4-15(23)5-8-17/h2-12,24,27H,1H3,(H,25,26)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 250n/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