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BDBM50338072 CHEMBL1684674::N-(cyclohexylmethyl)-2-(1H-indazol-3-yl)-1H-indole-6-carboxamide

SMILES: O=C(NCC1CCCCC1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12

InChI Key: InChIKey=FCAWWBYULLLTFE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338072   
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))
BDBM50338072
PNG
(CHEMBL1684674 | N-(cyclohexylmethyl)-2-(1H-indazol...)
Show SMILES O=C(NCC1CCCCC1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O/c28-23(24-14-15-6-2-1-3-7-15)17-11-10-16-12-21(25-20(16)13-17)22-18-8-4-5-9-19(18)26-27-22/h4-5,8-13,15,25H,1-3,6-7,14H2,(H,24,28)(H,26,27)
PDB
MMDB

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PC cid
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n/an/a 200n/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