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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase 1, cytoplasmic' and Ligand = 'BDBM501862'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))
BDBM501862
PNG
(US11028067, Example 3)
Show SMILES CN(C)c1ccc(c(n1)S(=O)(=O)c1ccccn1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N4O4S/c1-15(2)10-7-6-9(16(17)18)12(14-10)21(19,20)11-5-3-4-8-13-11/h3-8H,1-2H3
PDB

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PC cid
PC sid
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US Patent
n/an/a 558n/an/an/an/an/an/a



Oblique Therapeutics AB

US Patent


Assay Description
Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM ...


US Patent US11028067 (2021)

More data for this
Ligand-Target Pair