Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 3' and Ligand = 'BDBM50218862'   

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 reductase 3 (Homo sapiens (Human))	BDBM50218862 (CHEMBL90563) Show SMILES [H][C@@]12O[C@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@]13O[C@]1(CCCC3=O)C2=O Show InChI InChI=1S/C20H14O6/c21-13-8-3-9-18-16(22)15-17(23-15)20(19(13,18)26-18)24-11-6-1-4-10-5-2-7-12(25-20)14(10)11/h1-2,4-7,15,17H,3,8-9H2/t15-,17-,18+,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
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