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Literature summary extracted from

  • Aldib, I.; Gelbcke, M.; Soubhye, J.; Prevost, M.; Furtmueller, P.G.; Obinger, C.; Elfving, B.; Alard, I.C.; Roos, G.; Delporte, C.; Berger, G.; Dufour, D.; Zouaoui Boudjeltia, K.; Neve, J.; Dufrasne, F.; Van Antwerpen, P.
    Novel bis-arylalkylamines as myeloperoxidase inhibitors Design, synthesis, and structure-activity relationship study (2016), Eur. J. Med. Chem., 123, 746-762 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.11.2.2 1,4-bis[(2-fluorophenyl)methyl]piperazine
-
 Homo sapiens
1.11.2.2 1,4-bis[(3-fluorophenyl)methyl]piperazine
-
 Homo sapiens
1.11.2.2 1,4-bis[(4-fluorophenyl)methyl]piperazine
-
 Homo sapiens
1.11.2.2 1,4-dibenzylpiperazine
-
 Homo sapiens
1.11.2.2 2,2'-[piperazine-1,4-diylbis(methylene)]diphenol
-
 Homo sapiens
1.11.2.2 2-(2-[[(3-fluorophenyl)methyl]amino]ethyl)phenol
-
 Homo sapiens
1.11.2.2 2-(2-[[(4-fluorophenyl)methyl]amino]ethyl)phenol
-
 Homo sapiens
1.11.2.2 2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyrimidine-5-carbohydroxamic acid
-
 Homo sapiens
1.11.2.2 2-(3-[[(2-fluorophenyl)methyl]amino]propyl)phenol
-
 Homo sapiens
1.11.2.2 2-(3-[[(2-hydroxyphenyl)methyl]amino]propyl)phenol
-
 Homo sapiens
1.11.2.2 2-(3-[[(3-fluorophenyl)methyl]amino]propyl)phenol
-
 Homo sapiens
1.11.2.2 2-(3-[[(4-fluorophenyl)methyl]amino]propyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[2-(2-fluorophenyl)ethyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[2-(2-hydroxyphenyl)ethyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[2-(2-methoxyphenyl)ethyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[3-(2-fluorophenyl)propyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[3-(2-methoxyphenyl)propyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-([[3-(5-fluoro-1H-indol-3-yl)propyl]amino]methyl)phenol
-
 Homo sapiens
1.11.2.2 2-[(piperidin-1-yl)methyl]phenol
-
 Homo sapiens
1.11.2.2 2-[(piperidin-3-yl)methyl]phenol
-
 Homo sapiens
1.11.2.2 2-[2-(benzylamino)ethyl]phenol
-
 Homo sapiens
1.11.2.2 2-[3-(benzylamino)propyl]phenol
-
 Homo sapiens
1.11.2.2 2-[[(2-phenylethyl)amino]methyl]phenol
-
 Homo sapiens
1.11.2.2 2-[[(3-phenylpropyl)amino]methyl]phenol
-
 Homo sapiens
1.11.2.2 5-fluorotryptamine
-
 Homo sapiens
1.11.2.2 8-[(2-aminoethyl)amino]-3,7-dihydro-3-methyl-7-(3-phenoxypropyl)-1H-purine-2,6-dione
-
 Homo sapiens
1.11.2.2 bis-2,2'-[(dihydro-1,3(2H,4H) pyrimidinediyl)bis(-methylene)]phenol
-
 Homo sapiens
1.11.2.2 N-benzyl-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
-
 Homo sapiens
1.11.2.2 N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
-
 Homo sapiens
1.11.2.2 Salicylhydroxamic acid
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.11.2.2 Cl- + H2O2 + H+ Homo sapiens
-
 HClO + H2O
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
1.11.2.2 Homo sapiens P05164
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.11.2.2 Cl- + H2O2 + H+
-
 Homo sapiens HClO + H2O
-
 ?
1.11.2.2 Cl- + H2O2 + H+ + taurine + H+
-
 Homo sapiens taurine monochloroamine + 2 H2O
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.11.2.2 MPO
-
 Homo sapiens

Cofactor

EC Number Cofactor Comment Organism Structure
1.11.2.2 heme
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.11.2.2 0.000054
-
 at pH 7.4 and 25°C Homo sapiens 2-([[3-(5-fluoro-1H-indol-3-yl)propyl]amino]methyl)phenol
1.11.2.2 0.000085
-
 at pH 7.4 and 25°C Homo sapiens 2-([[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]methyl)phenol
1.11.2.2 0.00027
-
 at pH 7.4 and 25°C Homo sapiens 2-(3-[[(2-fluorophenyl)methyl]amino]propyl)phenol
1.11.2.2 0.00035
-
 at pH 7.4 and 25°C Homo sapiens 2-(3-[[(2-hydroxyphenyl)methyl]amino]propyl)phenol
1.11.2.2 0.00036
-
 at pH 7.4 and 25°C Homo sapiens 2-[3-(benzylamino)propyl]phenol
1.11.2.2 0.00037
-
 at pH 7.4 and 25°C Homo sapiens 2-([[3-(2-fluorophenyl)propyl]amino]methyl)phenol
1.11.2.2 0.00037
-
 at pH 7.4 and 25°C Homo sapiens 2-(3-[[(3-fluorophenyl)methyl]amino]propyl)phenol
1.11.2.2 0.00049
-
 at pH 7.4 and 25°C Homo sapiens 2-(3-[[(4-fluorophenyl)methyl]amino]propyl)phenol
1.11.2.2 0.0005
-
 at pH 7.4 and 25°C Homo sapiens bis-2,2'-[(dihydro-1,3(2H,4H) pyrimidinediyl)bis(-methylene)]phenol
1.11.2.2 0.00065
-
 at pH 7.4 and 25°C Homo sapiens 2-([[2-(2-hydroxyphenyl)ethyl]amino]methyl)phenol
1.11.2.2 0.00066
-
 at pH 7.4 and 25°C Homo sapiens 2-(2-[[(3-fluorophenyl)methyl]amino]ethyl)phenol
1.11.2.2 0.00067
-
 at pH 7.4 and 25°C Homo sapiens 2-([[2-(2-fluorophenyl)ethyl]amino]methyl)phenol
1.11.2.2 0.0007
-
 at pH 7.4 and 25°C Homo sapiens 2-[[(2-phenylethyl)amino]methyl]phenol
1.11.2.2 0.0007
-
 at pH 7.4 and 25°C Homo sapiens N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
1.11.2.2 0.00116
-
 at pH 7.4 and 25°C Homo sapiens 2-(2-[[(4-fluorophenyl)methyl]amino]ethyl)phenol
1.11.2.2 0.0012
-
 at pH 7.4 and 25°C Homo sapiens 2-[[(3-phenylpropyl)amino]methyl]phenol
1.11.2.2 0.0014
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 2,2'-[piperazine-1,4-diylbis(methylene)]diphenol
1.11.2.2 0.00185
-
 at pH 7.4 and 25°C Homo sapiens 2-([[2-(2-methoxyphenyl)ethyl]amino]methyl)phenol
1.11.2.2 0.0025
-
 at pH 7.4 and 25°C Homo sapiens 2-([[3-(2-methoxyphenyl)propyl]amino]methyl)phenol
1.11.2.2 0.0027
-
 at pH 7.4 and 25°C Homo sapiens 2-[2-(benzylamino)ethyl]phenol
1.11.2.2 0.01
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 1,4-bis[(2-fluorophenyl)methyl]piperazine
1.11.2.2 0.01
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 1,4-bis[(3-fluorophenyl)methyl]piperazine
1.11.2.2 0.01
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 1,4-bis[(4-fluorophenyl)methyl]piperazine
1.11.2.2 0.01
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 1,4-dibenzylpiperazine
1.11.2.2 0.01
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 2-[(piperidin-1-yl)methyl]phenol
1.11.2.2 0.01
-
 IC50 above 0.01 mM, at pH 7.4 and 25°C Homo sapiens 2-[(piperidin-3-yl)methyl]phenol