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Literature summary extracted from

  • Banerjee, A.; Pawar, M.Y.; Patil, S.; Yadav, P.S.; Kadam, P.A.; Kattige, V.G.; Deshpande, D.S.; Pednekar, P.V.; Pisat, M.K.; Gharat, L.A.
    Development of 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as microsomal prostaglandin E2 synthase-1 inhibitors (2014), Bioorg. Med. Chem. Lett., 24, 4838-4844 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
5.3.99.3 (3R)-1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)pyrrolidin-3-yl acetate
-
 Homo sapiens
5.3.99.3 (3S)-1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)pyrrolidin-3-yl acetate
-
 Homo sapiens
5.3.99.3 1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)-N-methylpiperidine-4-carboxamide 76% inhibition at 0.01 mM Homo sapiens
5.3.99.3 1-[5-chloro-6-(4-chlorophenyl)-1,3-benzoxazol-2-yl]-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide PF-4693627 Homo sapiens
5.3.99.3 2-(2-chloro-6-fluorophenyl)-7-phenyl-1,5-dihydro-4H-naphtho[1,2-d]imidazol-4-one
-
 Homo sapiens
5.3.99.3 2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile MF-63 Homo sapiens
5.3.99.3 2-(difluoromethyl)-5-[(2-methylpropanamido)methyl]-N-[4-methyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide
-
 Homo sapiens
5.3.99.3 2-(trifluoromethyl)-N-(3-[[5-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl)benzamide
-
 Homo sapiens
5.3.99.3 2-chloro-4-[(2,2-dimethylpropanamido)methyl]-N-[3-[4-(trifluoromethyl)anilino][1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
-
 Homo sapiens
5.3.99.3 2-chloro-5-[(2,2-dimethylpropanamido)methyl]-N-[4-oxo-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrophthalazin-6-yl]benzamide
-
 Homo sapiens
5.3.99.3 2-chloro-6-fluoro-N-[3-[4-(trifluoromethyl)anilino][1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
-
 Homo sapiens
5.3.99.3 2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide 16% inhibition at 0.01 mM Homo sapiens
5.3.99.3 4-(phenylethynyl)-N-(2-sulfamoylbenzene-1-sulfonyl)benzamide AZ-7847 Homo sapiens
5.3.99.3 5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-(phenylethynyl)pyridine
-
 Homo sapiens
5.3.99.3 N-(2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-7-yl)cyclopropanecarboxamide 74% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-(3',4'-dichloro[1,1'-biphenyl]-4-yl)-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxamide PF-1984 Homo sapiens
5.3.99.3 N-(3-chloro-2-methylphenyl)-6-[2-chloro-6-(trifluoromethyl)benzamido]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
-
 Homo sapiens
5.3.99.3 N-(4-bromophenyl)-2-[2-chloro-5-[(2,2-dimethylpropanamido)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-1H-benzimidazole-5-carboxamide
-
 Homo sapiens
5.3.99.3 N-([3-[(4-chlorophenyl)ethynyl]phenyl]methyl)-N'-propan-2-yl-N-([3-[(pyridin-4-yl)ethynyl]phenyl]methyl)urea
-
 Homo sapiens
5.3.99.3 N-([4-chloro-3-[4-oxo-7-(trifluoromethyl)-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-([4-chloro-3-[7-chloro-4-oxo-6-(3-oxopiperazin-1-yl)-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide 79% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-([4-chloro-3-[7-chloro-4-oxo-6-(pyridin-4-yl)-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-([4-chloro-3-[7-chloro-6-(4-hydroxypiperidin-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-([4-chloro-3-[7-chloro-6-(4-methylpiperazin-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide 75% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-([4-chloro-3-[7-chloro-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-tert-butyl-1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)azetidine-3-carboxamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[4-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[4-oxo-7-[6-(trifluoromethyl)pyridin-3-yl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[7-chloro-4-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(4-chloro-3-[7-chloro-6-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide 95% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-[(4-chloro-3-[7-chloro-6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide 91% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-[(4-chloro-3-[7-chloro-6-[4-(difluoromethyl)piperidin-1-yl]-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[(6-chloro-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrido[4,3-d]pyrimidin-2-yl]pyridin-3-yl)methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[3-(4-bromophenyl)-4-oxo-3,4-dihydrophthalazin-6-yl]-2-chloro-6-fluorobenzamide
-
 Homo sapiens
5.3.99.3 N-[3-[(4-bromophenyl)carbamoyl]-4-(2,2-difluoroethoxy)phenyl]-2-chloro-5-[(2,2-dimethylpropanamido)methyl]benzamide
-
 Homo sapiens
5.3.99.3 N-[[3-(7-amino-4-oxo-3,4-dihydroquinazolin-2-yl)-4-chlorophenyl]methyl]-2-methylpropanamide 70% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-[[3-(7-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)-4-chlorophenyl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[4-chloro-3-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide 67% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-[[4-chloro-3-(7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[4-chloro-3-(7-chloro-6-cyclopropyl-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[4-chloro-3-(7-chloro-6-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[4-chloro-3-(7-fluoro-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide 98% inhibition at 0.01 mM Homo sapiens
5.3.99.3 N-[[4-chloro-3-(7-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[4-chloro-3-(7-nitro-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrido[4,3-d]pyrimidin-2-yl]pyridin-3-yl]methyl]-2-methylpropanamide
-
 Homo sapiens
5.3.99.3 N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]pyridin-3-yl]methyl]-2-methylpropanamide
-
 Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
5.3.99.3 microsome
-
 Homo sapiens
-
-

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
5.3.99.3 Prostaglandin H2 Homo sapiens
-
 Prostaglandin E2
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
5.3.99.3 Homo sapiens O14684
-
-

Substrates and Products (Substrate)

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

Synonyms

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

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
5.3.99.3 0.000003
-
 pH and temperature not specified in the publication Homo sapiens 2-chloro-4-[(2,2-dimethylpropanamido)methyl]-N-[3-[4-(trifluoromethyl)anilino][1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
5.3.99.3 0.000004
-
 pH and temperature not specified in the publication Homo sapiens N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrido[4,3-d]pyrimidin-2-yl]pyridin-3-yl]methyl]-2-methylpropanamide
5.3.99.3 0.000005
-
 pH and temperature not specified in the publication Homo sapiens 2-chloro-5-[(2,2-dimethylpropanamido)methyl]-N-[4-oxo-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrophthalazin-6-yl]benzamide
5.3.99.3 0.000005
-
 pH and temperature not specified in the publication Homo sapiens N-[(6-chloro-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrido[4,3-d]pyrimidin-2-yl]pyridin-3-yl)methyl]-2-methylpropanamide
5.3.99.3 0.000006
-
 pH and temperature not specified in the publication Homo sapiens N-[[6-(difluoromethyl)-5-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]pyridin-3-yl]methyl]-2-methylpropanamide
5.3.99.3 0.000007
-
 pH and temperature not specified in the publication Homo sapiens N-tert-butyl-1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)azetidine-3-carboxamide
5.3.99.3 0.000007
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.00001
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.000016
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[4-oxo-7-[6-(trifluoromethyl)pyridin-3-yl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.000024
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[7-chloro-6-[4-(difluoromethyl)piperidin-1-yl]-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.000026
-
 pH and temperature not specified in the publication Homo sapiens N-([4-chloro-3-[4-oxo-7-(trifluoromethyl)-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
5.3.99.3 0.000032
-
 pH and temperature not specified in the publication Homo sapiens N-[[4-chloro-3-(7-chloro-6-cyclopropyl-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
5.3.99.3 0.000036
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[7-chloro-4-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.000036
-
 pH and temperature not specified in the publication Homo sapiens N-[[3-(7-bromo-4-oxo-3,4-dihydroquinazolin-2-yl)-4-chlorophenyl]methyl]-2-methylpropanamide
5.3.99.3 0.000042
-
 pH and temperature not specified in the publication Homo sapiens N-[[4-chloro-3-(7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
5.3.99.3 0.000055
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[4-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.000058
-
 pH and temperature not specified in the publication Homo sapiens N-([4-chloro-3-[4-oxo-7-(trifluoromethyl)-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
5.3.99.3 0.000063
-
 pH and temperature not specified in the publication Homo sapiens N-[[4-chloro-3-(7-nitro-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
5.3.99.3 0.000074
-
 pH and temperature not specified in the publication Homo sapiens N-[(4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydroquinazolin-2-yl]phenyl)methyl]-2-methylpropanamide
5.3.99.3 0.000111
-
 pH and temperature not specified in the publication Homo sapiens N-[[4-chloro-3-(7-chloro-6-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
5.3.99.3 0.000157
-
 pH and temperature not specified in the publication Homo sapiens 2-chloro-6-fluoro-N-[3-[4-(trifluoromethyl)anilino][1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
5.3.99.3 0.000179
-
 pH and temperature not specified in the publication Homo sapiens N-[3-(4-bromophenyl)-4-oxo-3,4-dihydrophthalazin-6-yl]-2-chloro-6-fluorobenzamide
5.3.99.3 0.000243
-
 pH and temperature not specified in the publication Homo sapiens (3S)-1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)pyrrolidin-3-yl acetate
5.3.99.3 0.000248
-
 pH and temperature not specified in the publication Homo sapiens (3R)-1-(7-chloro-2-[2-chloro-5-[(2-methylpropanamido)methyl]phenyl]-4-oxo-3,4-dihydroquinazolin-6-yl)pyrrolidin-3-yl acetate
5.3.99.3 0.000261
-
 pH and temperature not specified in the publication Homo sapiens N-([4-chloro-3-[7-chloro-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
5.3.99.3 0.000304
-
 pH and temperature not specified in the publication Homo sapiens N-[[4-chloro-3-(7-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl]-2-methylpropanamide
5.3.99.3 0.000481
-
 pH and temperature not specified in the publication Homo sapiens N-([4-chloro-3-[7-chloro-4-oxo-6-(pyridin-4-yl)-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide
5.3.99.3 0.000713
-
 pH and temperature not specified in the publication Homo sapiens N-([4-chloro-3-[7-chloro-6-(4-hydroxypiperidin-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]phenyl]methyl)-2-methylpropanamide