Literature summary for 1.11.2.2 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 .

Inhibitors

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

Natural Substrates/ Products (Substrates)

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

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P05164	-	-

Substrates and Products (Substrate)

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

Synonyms

Synonyms	Comment	Organism
MPO	-	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
heme	-	Homo sapiens

IC50 Value

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