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BDBM501866 US11028067, Example 7

SMILES: COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O

InChI Key: InChIKey=YKQIRIVONMSKNR-UHFFFAOYSA-N

Data: 2 IC50

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 = 501866   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutathione reductase


(Homo sapiens (Human))
BDBM501866
PNG
(US11028067, Example 7)
Show SMILES COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+8n/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
Thioredoxin reductase 1, cytoplasmic


(Homo sapiens (Human))
BDBM501866
PNG
(US11028067, Example 7)
Show SMILES COc1ccc(c(n1)S(=O)(=O)c1nc(C)cs1)[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O5S2/c1-6-5-19-10(11-6)20(16,17)9-7(13(14)15)3-4-8(12-9)18-2/h3-5H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/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