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Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase

Weber, J.E.; Oakley, A.J.; Christ, A.N.; Clark, A.G.; Hayes, J.D.; Hall, R.; Hume, D.A.; Board, P.G.; Smythe, M.L.; Flanagan, J.U.; Eur. J. Med. Chem. 45, 447-454 (2010)

Data extracted from this reference:

Application
EC Number
Application
Commentary
Organism
5.3.99.2
medicine
prostaglandin D2 synthesized by the hematopoietic prostaglandin D2 synthase has a pro-inflammatory effect in allergic asthma, regulating many hallmark characteristics of the disease
Homo sapiens
Cloned(Commentary)
EC Number
Commentary
Organism
5.3.99.2
into the vector pET17b for expression in Escherichia coli BL21DE3 cells
Homo sapiens
Crystallization (Commentary)
EC Number
Crystallization
Organism
5.3.99.2
the structure of H-PGDS in complex with GSH and nocodazole is solved to a resolution of 1.9 A
Homo sapiens
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
5.3.99.2
1-benzoyl piperazine
-
Homo sapiens
5.3.99.2
1-benzoyl piperidine
-
Homo sapiens
5.3.99.2
1-benzoyl-4-(methylsulfonyl)piperazine
-
Homo sapiens
5.3.99.2
1-phenyl-1-(2-thienyl)methanamine
-
Homo sapiens
5.3.99.2
3-benzoylpyrrole
-
Homo sapiens
5.3.99.2
AB179670
-
Homo sapiens
5.3.99.2
benzophenone
-
Homo sapiens
5.3.99.2
Cibacron blue 3GA
-
Homo sapiens
5.3.99.2
CMB5190724
-
Homo sapiens
5.3.99.2
CMB5256165
-
Homo sapiens
5.3.99.2
cyclohexyl-phenylketone
-
Homo sapiens
5.3.99.2
cyclopentyl-phenylketone
-
Homo sapiens
5.3.99.2
Ethacrynic acid
-
Homo sapiens
5.3.99.2
HQL-79
-
Homo sapiens
5.3.99.2
N-phenyl-2-thiophene-carboxamide
-
Homo sapiens
5.3.99.2
nocodazole
-
Homo sapiens
5.3.99.2
NSC151248
-
Homo sapiens
5.3.99.2
NSC4502
-
Homo sapiens
5.3.99.2
oxfendazole
-
Homo sapiens
5.3.99.2
phenyl-(2-thienyl)-methanol
-
Homo sapiens
5.3.99.2
phenyl-(3-thienyl)-methanone
-
Homo sapiens
5.3.99.2
Sulfobromophthalein
-
Homo sapiens
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5.3.99.2
Prostaglandin H2
Homo sapiens
-
Prostaglandin D2
-
-
?
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
5.3.99.2
Homo sapiens
O60760
-
-
Purification (Commentary)
EC Number
Commentary
Organism
5.3.99.2
on a GSTPrep FF 16/10 column
Homo sapiens
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5.3.99.2
Prostaglandin H2
-
703559
Homo sapiens
Prostaglandin D2
-
-
-
?
Temperature Optimum [C]
EC Number
Temperature Optimum [C]
Temperature Optimum Maximum [C]
Commentary
Organism
5.3.99.2
25
-
enzyme assay
Homo sapiens
pH Optimum
EC Number
pH Optimum Minimum
pH Optimum Maximum
Commentary
Organism
5.3.99.2
8
-
enzyme assay
Homo sapiens
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
5.3.99.2
glutathione
GSH
Homo sapiens
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.3.99.2
0.0002
-
-
Homo sapiens
Cibacron blue 3GA
5.3.99.2
0.0018
-
-
Homo sapiens
HQL-79
5.3.99.2
0.0092
-
-
Homo sapiens
NSC4502
5.3.99.2
0.0114
-
-
Homo sapiens
phenyl-(3-thienyl)-methanone
5.3.99.2
0.016
-
-
Homo sapiens
cyclopentyl-phenylketone
5.3.99.2
0.027
-
-
Homo sapiens
Sulfobromophthalein
5.3.99.2
0.0622
-
-
Homo sapiens
benzophenone
5.3.99.2
0.065
-
-
Homo sapiens
nocodazole
5.3.99.2
0.0875
-
-
Homo sapiens
3-benzoylpyrrole
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-benzoyl-4-(methylsulfonyl)piperazine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-benzoyl piperazine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-benzoyl piperidine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-phenyl-1-(2-thienyl)methanamine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
AB179670
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
CMB5256165
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
cyclohexyl-phenylketone
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
N-phenyl-2-thiophene-carboxamide
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
phenyl-(2-thienyl)-methanol
5.3.99.2
0.105
-
-
Homo sapiens
NSC151248
5.3.99.2
0.117
-
-
Homo sapiens
CMB5190724
5.3.99.2
0.1223
-
-
Homo sapiens
Ethacrynic acid
5.3.99.2
0.3
-
larger than 0.300 mM
Homo sapiens
oxfendazole
Application (protein specific)
EC Number
Application
Commentary
Organism
5.3.99.2
medicine
prostaglandin D2 synthesized by the hematopoietic prostaglandin D2 synthase has a pro-inflammatory effect in allergic asthma, regulating many hallmark characteristics of the disease
Homo sapiens
Cloned(Commentary) (protein specific)
EC Number
Commentary
Organism
5.3.99.2
into the vector pET17b for expression in Escherichia coli BL21DE3 cells
Homo sapiens
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
5.3.99.2
glutathione
GSH
Homo sapiens
Crystallization (Commentary) (protein specific)
EC Number
Crystallization
Organism
5.3.99.2
the structure of H-PGDS in complex with GSH and nocodazole is solved to a resolution of 1.9 A
Homo sapiens
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.3.99.2
0.0002
-
-
Homo sapiens
Cibacron blue 3GA
5.3.99.2
0.0018
-
-
Homo sapiens
HQL-79
5.3.99.2
0.0092
-
-
Homo sapiens
NSC4502
5.3.99.2
0.0114
-
-
Homo sapiens
phenyl-(3-thienyl)-methanone
5.3.99.2
0.016
-
-
Homo sapiens
cyclopentyl-phenylketone
5.3.99.2
0.027
-
-
Homo sapiens
Sulfobromophthalein
5.3.99.2
0.0622
-
-
Homo sapiens
benzophenone
5.3.99.2
0.065
-
-
Homo sapiens
nocodazole
5.3.99.2
0.0875
-
-
Homo sapiens
3-benzoylpyrrole
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-benzoyl-4-(methylsulfonyl)piperazine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-benzoyl piperazine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-benzoyl piperidine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
1-phenyl-1-(2-thienyl)methanamine
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
AB179670
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
CMB5256165
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
cyclohexyl-phenylketone
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
N-phenyl-2-thiophene-carboxamide
5.3.99.2
0.1
-
larger than 0.100 mM
Homo sapiens
phenyl-(2-thienyl)-methanol
5.3.99.2
0.105
-
-
Homo sapiens
NSC151248
5.3.99.2
0.117
-
-
Homo sapiens
CMB5190724
5.3.99.2
0.1223
-
-
Homo sapiens
Ethacrynic acid
5.3.99.2
0.3
-
larger than 0.300 mM
Homo sapiens
oxfendazole
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
5.3.99.2
1-benzoyl piperazine
-
Homo sapiens
5.3.99.2
1-benzoyl piperidine
-
Homo sapiens
5.3.99.2
1-benzoyl-4-(methylsulfonyl)piperazine
-
Homo sapiens
5.3.99.2
1-phenyl-1-(2-thienyl)methanamine
-
Homo sapiens
5.3.99.2
3-benzoylpyrrole
-
Homo sapiens
5.3.99.2
AB179670
-
Homo sapiens
5.3.99.2
benzophenone
-
Homo sapiens
5.3.99.2
Cibacron blue 3GA
-
Homo sapiens
5.3.99.2
CMB5190724
-
Homo sapiens
5.3.99.2
CMB5256165
-
Homo sapiens
5.3.99.2
cyclohexyl-phenylketone
-
Homo sapiens
5.3.99.2
cyclopentyl-phenylketone
-
Homo sapiens
5.3.99.2
Ethacrynic acid
-
Homo sapiens
5.3.99.2
HQL-79
-
Homo sapiens
5.3.99.2
N-phenyl-2-thiophene-carboxamide
-
Homo sapiens
5.3.99.2
nocodazole
-
Homo sapiens
5.3.99.2
NSC151248
-
Homo sapiens
5.3.99.2
NSC4502
-
Homo sapiens
5.3.99.2
oxfendazole
-
Homo sapiens
5.3.99.2
phenyl-(2-thienyl)-methanol
-
Homo sapiens
5.3.99.2
phenyl-(3-thienyl)-methanone
-
Homo sapiens
5.3.99.2
Sulfobromophthalein
-
Homo sapiens
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5.3.99.2
Prostaglandin H2
Homo sapiens
-
Prostaglandin D2
-
-
?
Purification (Commentary) (protein specific)
EC Number
Commentary
Organism
5.3.99.2
on a GSTPrep FF 16/10 column
Homo sapiens
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5.3.99.2
Prostaglandin H2
-
703559
Homo sapiens
Prostaglandin D2
-
-
-
?
Temperature Optimum [C] (protein specific)
EC Number
Temperature Optimum [C]
Temperature Optimum Maximum [C]
Commentary
Organism
5.3.99.2
25
-
enzyme assay
Homo sapiens
pH Optimum (protein specific)
EC Number
pH Optimum Minimum
pH Optimum Maximum
Commentary
Organism
5.3.99.2
8
-
enzyme assay
Homo sapiens