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Literature summary for 5.3.99.3 extracted from

  • Hieke, M.; Greiner, C.; Dittrich, M.; Reisen, F.; Schneider, G.; Schubert-Zsilavecz, M.; Werz, O.
    Discovery and biological evaluation of a novel class of dual microsomal prostaglandin E2 synthase-1/5-lipoxygenase inhibitors based on 2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid (2011), J. Med. Chem., 54, 4490-4507.
    View publication on PubMed
Search for more literature for 5.3.99.3

Inhibitors

Inhibitors Comment Organism Structure
(2E)-2-(2,5-bis[2-[4-(trifluoromethyl)phenyl]ethoxy]benzylidene)hexanoic acid
-
 Homo sapiens
(2E)-2-(2,5-bis[[4-(trifluoromethyl)benzyl]oxy]benzylidene)hexanoic acid 55.1% residual activity at 0.01 mM Homo sapiens
(2E)-2-[2,5-bis(2-cyclohexylethoxy)benzylidene]hexanoic acid
-
 Homo sapiens
(2E)-2-[2,5-bis(2-phenylethoxy)benzylidene]hexanoic acid
-
 Homo sapiens
(2E)-2-[5-(2-cyclohexylethoxy)-2-[[4-(trifluoromethyl)benzyl]oxy]benzylidene]hexanoic acid 74% residual activity at 0.01 mM Homo sapiens
2-(2,3-diphenethoxybenzylidene)hexanoic acid
-
 Homo sapiens
2-(3,5-diphenethoxybenzyl)hexanoic acid
-
 Homo sapiens
2-(3,5-diphenethoxybenzylidene)hexanoic acid
-
 Homo sapiens
2-([4,6-bis[2-(4-cyanophenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
-
 Homo sapiens
2-([4,6-bis[2-(4-methoxyphenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid 63.7% residual activity at 0.01 mM Homo sapiens
2-([4,6-bis[2-(4-methylphenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
-
 Homo sapiens
2-([4,6-bis[2-(4-nitrophenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
-
 Homo sapiens
2-([4,6-bis[2-(thiophen-3-yl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
-
 Homo sapiens
2-[(3,5-diphenethoxyphenyl)thio]hexanoic acid
-
 Homo sapiens
2-[(4,6-bis[2-[4-(trifluoromethoxy)phenyl]ethoxy]pyrimidin-2-yl)sulfanyl]hexanoic acid 88.3% residual activity at 0.01 mM Homo sapiens
2-[(4,6-bis[2-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidin-2-yl)sulfanyl]hexanoic acid
-
 Homo sapiens
2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid
-
 Homo sapiens
2-[2,3-bis(2-phenylethoxy)benzyl]hexanoic acid
-
 Homo sapiens
2-[2,4-bis(2-phenylethoxy)benzyl]hexanoic acid 90.1% residual activity at 0.01 mM Homo sapiens
2-[2,5-bis(2-phenylethoxy)benzyl]hexanoic acid
-
 Homo sapiens
2-[3,4-bis(2-phenylethoxy)benzyl]hexanoic acid
-
 Homo sapiens
2-[3,5-bis(2-phenylethoxy)phenoxy]hexanoic acid
-
 Homo sapiens
2-[[4,6-bis(2-cycloheptylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid 62.4% residual activity at 0.01 mM Homo sapiens
2-[[4,6-bis(2-cyclohexylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
-
 Homo sapiens
2-[[4,6-bis(2-cyclopentylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid 90% residual activity at 0.01 mM Homo sapiens
2-[[4,6-bis(2-cyclopropylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
-
 Homo sapiens
2-[[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl]butanoic acid
-
 Homo sapiens
2-[[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl]octanoic acid
-
 Homo sapiens
2-[[4,6-bis(3-methylbutoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid 54.5% residual activity at 0.01 mM Homo sapiens
2-[[4,6-bis(3-phenylpropoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
-
 Homo sapiens
2-[[4,6-bis(4-phenylbutoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
-
 Homo sapiens
2-[[4,6-bis(benzyloxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
-
 Homo sapiens
MK-886 i.e. 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid Homo sapiens
additional information not inhibited by BWA4C, i.e. (E)-N-hydroxy-N-(3-(3-phenoxyphenyl)-allyl)acetamide Homo sapiens
[[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl](phenyl)acetic acid
-
 Homo sapiens
[[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl]acetic acid 66.4% residual activity at 0.01 mM Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
microsome
-
 Homo sapiens
-
-

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
A-549 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Prostaglandin H2
-
 Homo sapiens Prostaglandin E2
-
 ?

Synonyms

Synonyms Comment Organism
microsomal prostaglandin E2 synthase-1
-
 Homo sapiens
mPGES-1
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
glutathione
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0006
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[3,5-bis(2-phenylethoxy)phenoxy]hexanoic acid
0.0009
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(4-phenylbutoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.0009
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-([4,6-bis[2-(4-methylphenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
0.0011
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-(2,3-diphenethoxybenzylidene)hexanoic acid
0.0012
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens [[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl](phenyl)acetic acid
0.0012
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid
0.0015
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens (2E)-2-[2,5-bis(2-phenylethoxy)benzylidene]hexanoic acid
0.0019
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[(4,6-bis[2-[4-(trifluoromethyl)phenyl]ethoxy]pyrimidin-2-yl)sulfanyl]hexanoic acid
0.002
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl]octanoic acid
0.0022
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(3-phenylpropoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.0024
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens MK-886
0.0024
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(2-cyclohexylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.0024
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[2,5-bis(2-phenylethoxy)benzyl]hexanoic acid
0.0024
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-(3,5-diphenethoxybenzyl)hexanoic acid
0.0027
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[3,4-bis(2-phenylethoxy)benzyl]hexanoic acid
0.0028
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-(3,5-diphenethoxybenzylidene)hexanoic acid
0.0034
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens (2E)-2-[2,5-bis(2-cyclohexylethoxy)benzylidene]hexanoic acid
0.0035
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens (2E)-2-(2,5-bis[2-[4-(trifluoromethyl)phenyl]ethoxy]benzylidene)hexanoic acid
0.0037
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-([4,6-bis[2-(4-nitrophenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
0.0038
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(benzyloxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.0039
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[2,3-bis(2-phenylethoxy)benzyl]hexanoic acid
0.0046
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[(3,5-diphenethoxyphenyl)thio]hexanoic acid
0.0059
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-([4,6-bis[2-(4-cyanophenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
0.0065
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-([4,6-bis[2-(thiophen-3-yl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
0.0073
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl]butanoic acid
0.0096
-
 in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(2-cyclopropylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens [[4,6-bis(2-phenylethoxy)pyrimidin-2-yl]sulfanyl]acetic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[(4,6-bis[2-[4-(trifluoromethoxy)phenyl]ethoxy]pyrimidin-2-yl)sulfanyl]hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-([4,6-bis[2-(4-methoxyphenyl)ethoxy]pyrimidin-2-yl]sulfanyl)hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(2-cycloheptylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(2-cyclopentylethoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[[4,6-bis(3-methylbutoxy)pyrimidin-2-yl]sulfanyl]hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens 2-[2,4-bis(2-phenylethoxy)benzyl]hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens (2E)-2-(2,5-bis[[4-(trifluoromethyl)benzyl]oxy]benzylidene)hexanoic acid
0.01
-
 IC50 above 0.01 mM, in potassium phosphate buffer (0.1 M, pH 7.4) containing 2.5 mM glutathione, at 4°C Homo sapiens (2E)-2-[5-(2-cyclohexylethoxy)-2-[[4-(trifluoromethyl)benzyl]oxy]benzylidene]hexanoic acid