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Literature summary for 2.1.1.6 extracted from

  • Lerner, C.; Masjost, B.; Ruf, A.; Gramlich, V.; Jakob-Roetne, R.; Zurcher, G.; Borroni, E.; Diederich, F.
    Bisubstrate inhibitors for the enzyme catechol-O-methyltransferase (COMT): influence of inhibitor preorganisation and linker length between the two substrate moieties on binding affinity (2003), Org. Biomol. Chem., 1, 42-49.
    View publication on PubMed

Application

Application Comment Organism
medicine inhibition of catechol-O-methyltransferase is an important approach in the treatment of Parkinson's disease Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
N-(2-[2-[(2R,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-ethoxy]-ethyl)-2,3-dihydroxy-5-nitro-benzamide IC50: 0.002 mM Homo sapiens
N-[(E)-4-[(2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-but-2-enyl]-2,3-dihydroxy-5-nitro-benzamide IC50: 9 nM Homo sapiens
N-[2-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethyl]-2,3-dihydroxy-5-nitrobenzene-1-carboxamide IC50: 60 nM Homo sapiens
N-[3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propyl]2,3-dihydroxy-5-nitrobenzene-1-carboxamide IC50: 200 nM Homo sapiens
N-[4-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]butyl]-2,3-dihydroxy-5-nitrobenzene-1-carboxamide IC50: 0.005 mM Homo sapiens
N-[[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2,3-dihydroxy-5-nitrobenzene-1-carboxamide IC50: 0.09 mM, very potent bisubstrate inhibitor Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Synonyms

Synonyms Comment Organism
COMT
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000009
-
IC50: 9 nM Homo sapiens N-[(E)-4-[(2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-but-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
0.00006
-
IC50: 60 nM Homo sapiens N-[2-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethyl]-2,3-dihydroxy-5-nitrobenzene-1-carboxamide
0.0002
-
IC50: 200 nM Homo sapiens N-[3-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]propyl]2,3-dihydroxy-5-nitrobenzene-1-carboxamide
0.002
-
IC50: 0.002 mM Homo sapiens N-(2-[2-[(2R,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-ethoxy]-ethyl)-2,3-dihydroxy-5-nitro-benzamide
0.005
-
IC50: 0.005 mM Homo sapiens N-[4-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]butyl]-2,3-dihydroxy-5-nitrobenzene-1-carboxamide
0.09
-
IC50: 0.09 mM, very potent bisubstrate inhibitor Homo sapiens N-[[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2,3-dihydroxy-5-nitrobenzene-1-carboxamide