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SMILES: COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)sc2c1

InChI Key: InChIKey=FZCIRFAFCNZHRG-KGLIPLIRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443190   
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))		BDBM50443190
PNG
(CHEMBL3086543)
Show SMILES COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)sc2c1 |r|
Show InChI InChI=1S/C18H22N2O2S/c1-22-12-7-8-15-16(9-12)23-18(19-15)20-17(21)14-10-13(14)11-5-3-2-4-6-11/h7-9,11,13-14H,2-6,10H2,1H3,(H,19,20,21)/t13-,14+/m1/s1
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Article
PubMed
 3.50E+3n/an/an/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of full length GST-tagged ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis

Bioorg Med Chem Lett 23: 6331-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.069
BindingDB Entry DOI: 10.7270/Q2GX4D16
More data for this
Ligand-Target Pair