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BDBM501861 US11028067, Example 2

SMILES: [O-][N+](=O)c1ccc(Cl)nc1S(=O)(=O)c1ccccn1

InChI Key: InChIKey=SZKKKWCDCRBGQE-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 = 501861   
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, mitochondrial


(Homo sapiens (Human))
BDBM501861
PNG
(US11028067, Example 2)
Show SMILES [O-][N+](=O)c1ccc(Cl)nc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C10H6ClN3O4S/c11-8-5-4-7(14(15)16)10(13-8)19(17,18)9-3-1-2-6-12-9/h1-6H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.89E+3n/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))
BDBM501861
PNG
(US11028067, Example 2)
Show SMILES [O-][N+](=O)c1ccc(Cl)nc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C10H6ClN3O4S/c11-8-5-4-7(14(15)16)10(13-8)19(17,18)9-3-1-2-6-12-9/h1-6H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 56.9n/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