Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin glutathione reductase' and Ligand = 'BDBM50300761'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50300761 (4,4'-(thiophene-2,5-diyl)bis(3-cyano-1,2,5-oxadiaz...) Show SMILES [O-][n+]1onc(-c2ccc(s2)-c2no[n+]([O-])c2C#N)c1C#N Show InChI InChI=1S/C10H2N6O4S/c11-3-5-9(13-19-15(5)17)7-1-2-8(21-7)10-6(4-12)16(18)20-14-10/h1-2H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 52: 6474-83 (2009) Article DOI: 10.1021/jm901021k BindingDB Entry DOI: 10.7270/Q2TH8MS1
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