BDBM522177 US11161815, Example 33

SMILES CCCCCCCCS(=O)c1nc(OC)ccc1[N+]([O-])=O

InChI Key InChIKey=IMKMGDCWEKCLFX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 522177   

TargetThioredoxin reductase 1, cytoplasmic(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522177(US11161815, Example 33)
Affinity DataIC50: 500nMAssay Description:Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2022
Entry Details
US Patent

TargetGlutathione reductase, mitochondrial(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522177(US11161815, Example 33)
Affinity DataIC50: 8.54E+4nMAssay Description:Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2022
Entry Details
US Patent