BDBM522174 US11161815, Example 30

SMILES COc1ccc(c(n1)S(=O)(=O)CCc1cnccn1)[N+]([O-])=O

InChI Key InChIKey=IJVFUZWRMGSRGT-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 522174   

TargetThioredoxin reductase 1, cytoplasmic(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522174(US11161815, Example 30)
Affinity DataIC50: 66.9nMAssay 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
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TargetGlutathione reductase, mitochondrial(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM522174(US11161815, Example 30)
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

TargetXanthine dehydrogenase/oxidase(Human)
Acquist

US Patent
LigandPNGBDBM522174(US11161815, Example 30)
Affinity DataIC50: 6.50E+3nMAssay Description:Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan MP: ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2022
Entry Details
Go to US Patent