Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM501860'   

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 1, cytoplasmic (Homo sapiens (Human))	BDBM501860 (US11028067, Example 1 | US11028067, Example 8) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O Show InChI InChI=1S/C11H9N3O5S/c1-19-9-6-5-8(14(15)16)11(13-9)20(17,18)10-4-2-3-7-12-10/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501860 (US11028067, Example 1 | US11028067, Example 8) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O Show InChI InChI=1S/C11H9N3O5S/c1-19-9-6-5-8(14(15)16)11(13-9)20(17,18)10-4-2-3-7-12-10/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26.8	n/a	n/a	n/a	n/a	n/a	n/a
Oblique Therapeutics AB US Patent					Assay Description Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...				US Patent US11028067 (2021) BindingDB Entry DOI: 10.7270/Q2Q81H65
					More data for this Ligand-Target Pair