BDBM522175 US11161815, Example 31

SMILES CCS(=O)c1nc(OC)ccc1C(O)=O

InChI Key InChIKey=FREZBUWDXMKFGG-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 = 522175   

TargetThioredoxin reductase 1, cytoplasmic(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522175(US11161815, Example 31)
Affinity DataIC50: 131nMAssay 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
Go to US Patent

TargetGlutathione reductase, mitochondrial(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522175(US11161815, Example 31)
Affinity DataIC50: 1.00E+5nMAssay 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
Go to US Patent