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

InChI Key:

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


(Homo sapiens (Human))
BDBM522174
PNG
(US11161815, Example 30)
Show SMILES COc1ccc(c(n1)S(=O)(=O)CCc1cnccn1)[N+]([O-])=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 66.9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM522174
PNG
(US11161815, Example 30)
Show SMILES COc1ccc(c(n1)S(=O)(=O)CCc1cnccn1)[N+]([O-])=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutathione reductase, mitochondrial


(Homo sapiens (Human))
BDBM522174
PNG
(US11161815, Example 30)
Show SMILES COc1ccc(c(n1)S(=O)(=O)CCc1cnccn1)[N+]([O-])=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair