BDBM531217 US11208384, Example 1

SMILES COc1ccc(c(n1)S(=O)c1ccc(Cl)cc1)[N+]([O-])=O

InChI Key InChIKey=YXPABJZGLIYCTO-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 531217   

TargetThioredoxin reductase 1, cytoplasmic(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM531217(US11208384, Example 1)
Affinity DataIC50: 3.16nMAssay 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:
5/2/2022
Entry Details
Go to US Patent

TargetGlutathione reductase, mitochondrial(Human)
Oblique Therapeutics

US Patent
LigandPNGBDBM531217(US11208384, Example 1)
Affinity DataIC50: 4.13E+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:
5/2/2022
Entry Details
Go to US Patent