BDBM501862 US11028067, Example 3

SMILES: CN(C)c1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O

InChI Key: InChIKey=GUJJGCHVOLQUTR-UHFFFAOYSA-N

Data: 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 501862   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glutathione reductase (Homo sapiens (Human))	BDBM501862 (US11028067, Example 3) Show SMILES CN(C)c1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O Show InChI InChI=1S/C12H12N4O4S/c1-15(2)10-7-6-9(16(17)18)12(14-10)21(19,20)11-5-3-4-8-13-11/h3-8H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	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))	BDBM501862 (US11028067, Example 3) Show SMILES CN(C)c1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O Show InChI InChI=1S/C12H12N4O4S/c1-15(2)10-7-6-9(16(17)18)12(14-10)21(19,20)11-5-3-4-8-13-11/h3-8H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	558	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