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Literature summary for 2.1.1.6 extracted from

  • Chen, D.; Wang, C.Y.; Lambert, J.D.; Ai, N.; Welsh, W.J.; Yang, C.S.
    Inhibition of human liver catechol-O-methyltransferase by tea catechins and their metabolites: structure-activity relationship and molecular-modeling studies (2005), Biochem. Pharmacol., 69, 1523-1531.
    View publication on PubMed
Search for more literature for 2.1.1.6

Inhibitors

Inhibitors Comment Organism Structure
(-)-epicatechin-3-gallate IC50: 0.0002 mM with 2-hydroxyestradiol as substrate, IC50: 0.0003 mM with 4-hydroxyestradiol as substrate Homo sapiens
(-)-epigallocatechin IC50: 0.044 mM with 2-hydroxyestradiol as substrate, IC50: 0.05 nM with 4-hydroxyestradiol as substrate Homo sapiens
(-)-epigallocatechin-3-gallate IC50: 70 nM with 2-hydroxyestradiol as substrate, IC50: 80 nM with 4-hydroxyestradiol as substrate, mixed inhibitor Homo sapiens
(-)-epigallocatechin-3-gallate-3''-O-glucuronide IC50: 0.002 mM with 2-hydroxyestradiol as substrate, IC50: 0.0025 mM with 4-hydroxyestradiol as substrate Homo sapiens
(-)-epigallocatechin-3-gallate-3'-O-glucuronide IC50: 0.0018 mM with 2-hydroxyestradiol as substrate, IC50: 0.0023 mM with 4-hydroxyestradiol as substrate Homo sapiens
(-)-epigallocatechin-3-gallate-4''-O-glucuronide IC50: 0.0025 mM with 2-hydroxyestradiol as substrate, IC50: 0.004 mM with 4-hydroxyestradiol as substrate Homo sapiens
(-)-epigallocatechin-3-gallate-7-O-glucuronide IC50: 600 nM with 2-hydroxyestradiol as substrate, IC50: 800 nM with 4-hydroxyestradiol as substrate Homo sapiens
(-)epicatechin IC50: 0.06 mM with 2-hydroxyestradiol as substrate, IC50: 0.08 mM with 4-hydroxyestradiol as substrate Homo sapiens
4'-4''-di-O-methyl-epigallocatechin-3-gallate IC50: 0.00015 mM with 2-hydroxyestradiol or 4-hydroxyestradiol as substrate, competitive with respect S-adenyosylmethionine, noncompetitive with respect to catechol Homo sapiens
4'-O-methyl-(-)-epigallocatechin IC50: 0.032 mM with 2-hydroxyestradiol as substrate, IC50: 0.04 mM with 4-hydroxyestradiol as substrate Homo sapiens
4'-O-methyl-epigallocatechin-3-gallate IC50: 0.0001 mM with 2-hydroxyestradiol or 4-hydroxyestradiol as substrate Homo sapiens
additional information no inhibition by genistein, daidzein and biochanin A Homo sapiens
quercetin IC50: 0.0085 mM with 2-hydroxyestradiol or 4-hydroxyestradiol as substrate Homo sapiens
S-adenosyl-L-methionine
-
 Homo sapiens

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.00032
-
 2-hydroxyestradiol
-
 Homo sapiens
0.00037
-
 4-hydroxyestradiol
-
 Homo sapiens
0.0172
-
 S-adenosyl-L-methionine
-
 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
S-adenosyl-L-methionine + 2-hydroxyestradiol
-
 Homo sapiens S-adenosyl-L-homocysteine + ?
-
 ?
S-adenosyl-L-methionine + 4-hydroxyestradiol
-
 Homo sapiens S-adenosyl-L-homocysteine + ?
-
 ?
S-adenosyl-L-methionine + epigallocatechin-3-gallate
-
 Homo sapiens S-adenosyl-L-homocysteine + ?
-
 ?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00032
-
 (-)-epigallocatechin-3-gallate substrate: 2-hydroxyestradiol Homo sapiens
0.00037
-
 (-)-epigallocatechin-3-gallate substrate: 4-hydroxyestradiol Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00007
-
 IC50: 70 nM with 2-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin-3-gallate
0.00008
-
 IC50: 80 nM with 4-hydroxyestradiol as substrate, mixed inhibitor Homo sapiens (-)-epigallocatechin-3-gallate
0.0001
-
 IC50: 0.0001 mM with 2-hydroxyestradiol or 4-hydroxyestradiol as substrate Homo sapiens 4'-O-methyl-epigallocatechin-3-gallate
0.00015
-
 IC50: 0.00015 mM with 2-hydroxyestradiol or 4-hydroxyestradiol as substrate, competitive with respect S-adenyosylmethionine, noncompetitive with respect to catechol Homo sapiens 4'-4''-di-O-methyl-epigallocatechin-3-gallate
0.0003
-
 IC50: 0.0002 mM with 2-hydroxyestradiol as substrate, IC50: 0.0003 mM with 4-hydroxyestradiol as substrate Homo sapiens (-)-epicatechin-3-gallate
0.0006
-
 IC50: 600 nM with 2-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin-3-gallate-7-O-glucuronide
0.0008
-
 IC50: 800 nM with 4-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin-3-gallate-7-O-glucuronide
0.0023
-
 IC50: 0.0018 mM with 2-hydroxyestradiol as substrate, IC50: 0.0023 mM with 4-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin-3-gallate-3'-O-glucuronide
0.0025
-
 IC50: 0.002 mM with 2-hydroxyestradiol as substrate, IC50: 0.0025 mM with 4-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin-3-gallate-3''-O-glucuronide
0.004
-
 IC50: 0.0025 mM with 2-hydroxyestradiol as substrate, IC50: 0.004 mM with 4-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin-3-gallate-4''-O-glucuronide
0.0085
-
 IC50: 0.0085 mM with 2-hydroxyestradiol or 4-hydroxyestradiol as substrate Homo sapiens quercetin
0.04
-
 IC50: 0.032 mM with 2-hydroxyestradiol as substrate, IC50: 0.04 mM with 4-hydroxyestradiol as substrate Homo sapiens 4'-O-methyl-(-)-epigallocatechin
0.044
-
 IC50: 0.044 mM with 2-hydroxyestradiol as substrate, Homo sapiens (-)-epigallocatechin
0.05
-
 IC50: 0.05 mM with 4-hydroxyestradiol as substrate Homo sapiens (-)-epigallocatechin
0.08
-
 IC50: 0.06 mM with 2-hydroxyestradiol as substrate, IC50: 0.08 mM with 4-hydroxyestradiol as substrate Homo sapiens (-)epicatechin