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Literature summary for 5.3.99.2 extracted from

  • Saxty, G.; Norton, D.; Affleck, K.; Clapham, D.; Cleasby, A.; Coyle, J.; Day, P.; Frederickson, M.; Hancock, A.; Hobbs, H.; Hutchinson, J.; Le, J.; Leveridge, M.; McMenamin, R.; Mortenson, P.; Page, L.; Richardson, C.; Russell, L.; Sherriff, E.; Teague, S
    Identification of orally bioavailable small-molecule inhibitors of hematopoietic prostaglandin D2 synthase using X-ray fragment based drug discovery (2014), MedChemComm, 5, 134-141 .
No PubMed abstract available
Search for more literature for 5.3.99.2

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli BL21(DE3) cells Homo sapiens

Crystallization (Commentary)

Crystallization (Comment) Organism
hanging drop vapor diffusion method, using 0.1 M MES/NaOH at pH 6.5, 0.005 M MgCl2 and 24% (w/v) PEG 3350 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
3-(1H-pyrazol-4-yl)pyridine 58% inhibition at 0.1 mM Homo sapiens
3-(3-cyclopropyl-1H-pyrazol-4-yl)-N-ethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide
-
 Homo sapiens
3-(3-cyclopropyl-1H-pyrazol-4-yl)pyridine
-
 Homo sapiens
4-(3-methyl-1H-pyrazol-4-yl)benzonitrile 52% inhibition at 0.03 mM Homo sapiens
4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine
-
 Homo sapiens
6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide
-
 Homo sapiens
6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
-
 Homo sapiens
N-(5-fluoro-3-methyl-1H-indol-1-yl)-2-(pyridin-2-yl)pyrimidine-5-carboxamide
-
 Homo sapiens
N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
-
 Homo sapiens
N-cyclopentyl-3-(3-cyclopropyl-1H-pyrazol-4-yl)-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide 66% inhibition at 10 nM Homo sapiens
N-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
-
 Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
Prostaglandin H2 Homo sapiens
-
 Prostaglandin D2
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Purification (Commentary)

Purification (Comment) Organism
Hi-trap Q column chromatography Homo sapiens

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Prostaglandin H2
-
 Homo sapiens Prostaglandin D2
-
 ?

Synonyms

Synonyms Comment Organism
H-PGDS
-
 Homo sapiens
hematopoietic prostaglandin D2 synthase
-
 Homo sapiens
PGD synthase
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00004
-
 pH and temperature not specified in the publication Homo sapiens 3-(3-cyclopropyl-1H-pyrazol-4-yl)-N-ethyl-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxamide
0.0005
-
 pH and temperature not specified in the publication Homo sapiens N-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
0.0085
-
 pH and temperature not specified in the publication Homo sapiens N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
0.017
-
 pH and temperature not specified in the publication Homo sapiens 3-(3-cyclopropyl-1H-pyrazol-4-yl)pyridine