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BDBM50004046 2,3-Dihydroxy-6-nitro-benzaldehyde::CHEMBL334706

SMILES: Oc1ccc(c(C=O)c1O)[N+]([O-])=O

InChI Key: InChIKey=NCTNMQLZSVOAKA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004046   
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
Catechol O-methyltransferase


(Sus scrofa)
BDBM50004046
PNG
(2,3-Dihydroxy-6-nitro-benzaldehyde | CHEMBL334706)
Show SMILES Oc1ccc(c(C=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO5/c9-3-4-5(8(12)13)1-2-6(10)7(4)11/h1-3,10-11H
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Instituto de Química Orgánica General (CSIC)

Curated by ChEMBL


Assay Description
In vitro inhibition of Catechol-O-methyltransferase (COMT) from isolated partially purified pig liver enzyme


J Med Chem 35: 4584-8 (1993)


Article DOI: 10.1021/jm00102a011
BindingDB Entry DOI: 10.7270/Q2X63KWW
More data for this
Ligand-Target Pair