BDBM522150 US11161815, Example 6

SMILES CCCCCCS(=O)(=O)c1nc(Cl)ccc1[N+]([O-])=O

InChI Key InChIKey=UPNBMEHVFYFVKX-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 = 522150   

TargetThioredoxin reductase 1, cytoplasmic(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522150(US11161815, Example 6)
Affinity DataIC50: 56nMAssay 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
LigandPNGBDBM522150(US11161815, Example 6)
Affinity DataIC50: 8.76E+3nMAssay 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