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SMILES: COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O

InChI Key: InChIKey=YKQIRIVONMSKNR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 501866   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM501866 (US11028067, Example 7) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O Show InChI InChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+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)
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Homo sapiens (Human))	BDBM501866 (US11028067, Example 7) Show SMILES COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O Show InChI InChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	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)
					More data for this Ligand-Target Pair