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Identification of new inhibitors for human hematopoietic prostaglandin D2 synthase among FDA-approved drugs and other compounds

Mazari, A.M.; Hegazy, U.M.; Mannervik, B.; Chem. Biol. Interact. 229, 91-99 (2015)

Data extracted from this reference:

Cloned(Commentary)
EC Number
Commentary
Organism
5.3.99.2
expressed in Escherichia coli XL-1 Blue cells
Homo sapiens
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
5.3.99.2
anthralin
i.e. 1,8-dihydroxyanthracen-9(10H)-one
Homo sapiens
5.3.99.2
bithionate sodium
-
Homo sapiens
5.3.99.2
bromocriptine mesylate
-
Homo sapiens
5.3.99.2
candesartan cilextil
-
Homo sapiens
5.3.99.2
chlorophyllide copper complex sodium salt
linear competitive inhibitor
Homo sapiens
5.3.99.2
deoxycorticosterone acetate
-
Homo sapiens
5.3.99.2
epirubicin hydrochloride
-
Homo sapiens
5.3.99.2
erythrosine sodium
i.e. disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Homo sapiens
5.3.99.2
Ethacrynic acid
i.e. [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
Homo sapiens
5.3.99.2
fluorescein
-
Homo sapiens
5.3.99.2
Hexachlorophene
-
Homo sapiens
5.3.99.2
iopanic acid
linear competitive inhibitor, i.e. 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
Homo sapiens
5.3.99.2
Ketoprofen
i.e. [3-(3-hydroxybut-3-en-2-yl)phenyl](phenyl)methanone
Homo sapiens
5.3.99.2
merbromin
-
Homo sapiens
5.3.99.2
montelukast sodium
-
Homo sapiens
5.3.99.2
nisoldipine
-
Homo sapiens
5.3.99.2
pararosaniline pamoate
-
Homo sapiens
5.3.99.2
pyrvinium pamoate
-
Homo sapiens
5.3.99.2
sanguinarine sulfate
linear competitive inhibitor
Homo sapiens
5.3.99.2
sennoside A
-
Homo sapiens
5.3.99.2
suramin
-
Homo sapiens
5.3.99.2
Tannic acid
nonlinear competitive inhibitor
Homo sapiens
5.3.99.2
tranilast
i.e. 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
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
Ni-IMAC chromatography
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
1-chloro-2,4-dinitrobenzene + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
1-fluoro-2,4-dinitrobenzene + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
allyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
benzyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
cyclohexyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
phenethyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
propyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
Prostaglandin H2
-
747503
Homo sapiens
Prostaglandin D2
-
-
-
?
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
5.3.99.2
glutathione
-
Homo sapiens
Ki Value [mM]
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
5.3.99.2
0.0001
-
suramin
at pH 6.5 and 30C
Homo sapiens
5.3.99.2
0.0002
-
Tannic acid
at pH 6.5 and 30C
Homo sapiens
5.3.99.2
0.001
-
sanguinarine sulfate
at pH 6.5 and 30C
Homo sapiens
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.3.99.2
0.0002
-
at pH 6.5 and 30C
Homo sapiens
erythrosine sodium
5.3.99.2
0.0003
-
at pH 6.5 and 30C
Homo sapiens
suramin
5.3.99.2
0.0004
-
at pH 6.5 and 30C
Homo sapiens
Tannic acid
5.3.99.2
0.0006
-
at pH 6.5 and 30C
Homo sapiens
sanguinarine sulfate
5.3.99.2
0.0017
-
at pH 6.5 and 30C
Homo sapiens
chlorophyllide copper complex sodium salt
5.3.99.2
0.0018
-
at pH 6.5 and 30C
Homo sapiens
iopanic acid
5.3.99.2
0.002
-
at pH 6.5 and 30C
Homo sapiens
montelukast sodium
5.3.99.2
0.0033
-
at pH 6.5 and 30C
Homo sapiens
merbromin
5.3.99.2
0.0055
-
at pH 6.5 and 30C
Homo sapiens
candesartan cilextil
5.3.99.2
0.0084
-
at pH 6.5 and 30C
Homo sapiens
epirubicin hydrochloride
5.3.99.2
0.0086
-
at pH 6.5 and 30C
Homo sapiens
deoxycorticosterone acetate
5.3.99.2
0.0089
-
at pH 6.5 and 30C
Homo sapiens
Hexachlorophene
5.3.99.2
0.012
-
at pH 6.5 and 30C
Homo sapiens
bithionate sodium
5.3.99.2
0.0132
-
at pH 6.5 and 30C
Homo sapiens
bromocriptine mesylate
5.3.99.2
0.0134
-
at pH 6.5 and 30C
Homo sapiens
fluorescein
5.3.99.2
0.0137
-
at pH 6.5 and 30C
Homo sapiens
tranilast
5.3.99.2
0.0172
-
at pH 6.5 and 30C
Homo sapiens
pyrvinium pamoate
5.3.99.2
0.0203
-
at pH 6.5 and 30C
Homo sapiens
Ketoprofen
5.3.99.2
0.0208
-
at pH 6.5 and 30C
Homo sapiens
pararosaniline pamoate
5.3.99.2
0.0237
-
at pH 6.5 and 30C
Homo sapiens
anthralin
5.3.99.2
0.029
-
at pH 6.5 and 30C
Homo sapiens
nisoldipine
5.3.99.2
0.0393
-
at pH 6.5 and 30C
Homo sapiens
sennoside A
5.3.99.2
0.044
-
at pH 6.5 and 30C
Homo sapiens
Ethacrynic acid
Cloned(Commentary) (protein specific)
EC Number
Commentary
Organism
5.3.99.2
expressed in Escherichia coli XL-1 Blue cells
Homo sapiens
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
5.3.99.2
glutathione
-
Homo sapiens
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.3.99.2
0.0002
-
at pH 6.5 and 30C
Homo sapiens
erythrosine sodium
5.3.99.2
0.0003
-
at pH 6.5 and 30C
Homo sapiens
suramin
5.3.99.2
0.0004
-
at pH 6.5 and 30C
Homo sapiens
Tannic acid
5.3.99.2
0.0006
-
at pH 6.5 and 30C
Homo sapiens
sanguinarine sulfate
5.3.99.2
0.0017
-
at pH 6.5 and 30C
Homo sapiens
chlorophyllide copper complex sodium salt
5.3.99.2
0.0018
-
at pH 6.5 and 30C
Homo sapiens
iopanic acid
5.3.99.2
0.002
-
at pH 6.5 and 30C
Homo sapiens
montelukast sodium
5.3.99.2
0.0033
-
at pH 6.5 and 30C
Homo sapiens
merbromin
5.3.99.2
0.0055
-
at pH 6.5 and 30C
Homo sapiens
candesartan cilextil
5.3.99.2
0.0084
-
at pH 6.5 and 30C
Homo sapiens
epirubicin hydrochloride
5.3.99.2
0.0086
-
at pH 6.5 and 30C
Homo sapiens
deoxycorticosterone acetate
5.3.99.2
0.0089
-
at pH 6.5 and 30C
Homo sapiens
Hexachlorophene
5.3.99.2
0.012
-
at pH 6.5 and 30C
Homo sapiens
bithionate sodium
5.3.99.2
0.0132
-
at pH 6.5 and 30C
Homo sapiens
bromocriptine mesylate
5.3.99.2
0.0134
-
at pH 6.5 and 30C
Homo sapiens
fluorescein
5.3.99.2
0.0137
-
at pH 6.5 and 30C
Homo sapiens
tranilast
5.3.99.2
0.0172
-
at pH 6.5 and 30C
Homo sapiens
pyrvinium pamoate
5.3.99.2
0.0203
-
at pH 6.5 and 30C
Homo sapiens
Ketoprofen
5.3.99.2
0.0208
-
at pH 6.5 and 30C
Homo sapiens
pararosaniline pamoate
5.3.99.2
0.0237
-
at pH 6.5 and 30C
Homo sapiens
anthralin
5.3.99.2
0.029
-
at pH 6.5 and 30C
Homo sapiens
nisoldipine
5.3.99.2
0.0393
-
at pH 6.5 and 30C
Homo sapiens
sennoside A
5.3.99.2
0.044
-
at pH 6.5 and 30C
Homo sapiens
Ethacrynic acid
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
5.3.99.2
anthralin
i.e. 1,8-dihydroxyanthracen-9(10H)-one
Homo sapiens
5.3.99.2
bithionate sodium
-
Homo sapiens
5.3.99.2
bromocriptine mesylate
-
Homo sapiens
5.3.99.2
candesartan cilextil
-
Homo sapiens
5.3.99.2
chlorophyllide copper complex sodium salt
linear competitive inhibitor
Homo sapiens
5.3.99.2
deoxycorticosterone acetate
-
Homo sapiens
5.3.99.2
epirubicin hydrochloride
-
Homo sapiens
5.3.99.2
erythrosine sodium
i.e. disodium 2-(2,4,5,7-tetraiodo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Homo sapiens
5.3.99.2
Ethacrynic acid
i.e. [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
Homo sapiens
5.3.99.2
fluorescein
-
Homo sapiens
5.3.99.2
Hexachlorophene
-
Homo sapiens
5.3.99.2
iopanic acid
linear competitive inhibitor, i.e. 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
Homo sapiens
5.3.99.2
Ketoprofen
i.e. [3-(3-hydroxybut-3-en-2-yl)phenyl](phenyl)methanone
Homo sapiens
5.3.99.2
merbromin
-
Homo sapiens
5.3.99.2
montelukast sodium
-
Homo sapiens
5.3.99.2
nisoldipine
-
Homo sapiens
5.3.99.2
pararosaniline pamoate
-
Homo sapiens
5.3.99.2
pyrvinium pamoate
-
Homo sapiens
5.3.99.2
sanguinarine sulfate
linear competitive inhibitor
Homo sapiens
5.3.99.2
sennoside A
-
Homo sapiens
5.3.99.2
suramin
-
Homo sapiens
5.3.99.2
Tannic acid
nonlinear competitive inhibitor
Homo sapiens
5.3.99.2
tranilast
i.e. 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
Homo sapiens
Ki Value [mM] (protein specific)
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
5.3.99.2
0.0001
-
suramin
at pH 6.5 and 30C
Homo sapiens
5.3.99.2
0.0002
-
Tannic acid
at pH 6.5 and 30C
Homo sapiens
5.3.99.2
0.001
-
sanguinarine sulfate
at pH 6.5 and 30C
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
Ni-IMAC chromatography
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
1-chloro-2,4-dinitrobenzene + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
1-fluoro-2,4-dinitrobenzene + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
allyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
benzyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
cyclohexyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
phenethyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
propyl isothiocyanate + glutathione
-
747503
Homo sapiens
?
-
-
-
?
5.3.99.2
Prostaglandin H2
-
747503
Homo sapiens
Prostaglandin D2
-
-
-
?