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SMILES: [O-][n+]1onc(OCCCOc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=SEGSKVAZFOMHMF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50049864   
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 glutathione reductase


(Schistosoma mansoni)		BDBM50049864
PNG
(CHEMBL3322356)
Show SMILES [O-][n+]1onc(OCCCOc2ccc3CCN4C(CN(CC4=O)C(=O)C4CCCCC4)c3c2)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H34N4O8S/c35-27-20-32(29(36)22-8-3-1-4-9-22)19-26-25-18-23(13-12-21(25)14-15-33(26)27)40-16-7-17-41-28-30(34(37)42-31-28)43(38,39)24-10-5-2-6-11-24/h2,5-6,10-13,18,22,26H,1,3-4,7-9,14-17,19-20H2
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Universit£ of Torino

Curated by ChEMBL


Assay Description
Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins

Eur J Med Chem 84: 135-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.007
BindingDB Entry DOI: 10.7270/Q21G0NW8
More data for this
Ligand-Target Pair