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BDBM50338042 CHEMBL1684506::N-(3-(1H-indol-2-yl)-1H-indazol-5-yl)-2-methoxyacetamide

SMILES: COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1

InChI Key: InChIKey=KTUFSKAFSWAPTL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338042   
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))
BDBM50338042
PNG
(CHEMBL1684506 | N-(3-(1H-indol-2-yl)-1H-indazol-5-...)
Show SMILES COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N4O2/c1-24-10-17(23)19-12-6-7-15-13(9-12)18(22-21-15)16-8-11-4-2-3-5-14(11)20-16/h2-9,20H,10H2,1H3,(H,19,23)(H,21,22)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 160n/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