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SMILES: Fc1cc2[nH]c(SSC3CCCCC3)nc2cc1Cl

InChI Key: InChIKey=AGVIBOJVIZGZCC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50426067   
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))		BDBM50426067
PNG
(CHEMBL2315297)
Show SMILES Fc1cc2[nH]c(SSC3CCCCC3)nc2cc1Cl
Show InChI InChI=1S/C13H14ClFN2S2/c14-9-6-11-12(7-10(9)15)17-13(16-11)19-18-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
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n/an/a 170n/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