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SMILES: O=C(c1ccccc1)c1ccc2nc(SSC3CCCCC3)[nH]c2c1

InChI Key: InChIKey=TYGGRMZGJNJNDQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50426065   
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
Thioredoxin


(Homo sapiens (Human))		BDBM50426065
PNG
(CHEMBL2315294)
Show SMILES O=C(c1ccccc1)c1ccc2nc(SSC3CCCCC3)[nH]c2c1
Show InChI InChI=1S/C20H20N2OS2/c23-19(14-7-3-1-4-8-14)15-11-12-17-18(13-15)22-20(21-17)25-24-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,21,22)
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n/an/a 240n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...

J Med Chem 56: 1301-10 (2013)


Article DOI: 10.1021/jm301775s
BindingDB Entry DOI: 10.7270/Q2HQ4181
More data for this
Ligand-Target Pair