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PubMed code 11909713

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50088679
PNG
(2-Phenyl-isoindole-1,3-dione | 2-phenyl-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50066441
PNG
(2-(2,6-Dimethyl-phenyl)-isoindole-1,3-dione | 2-(2...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50088679
PNG
(2-Phenyl-isoindole-1,3-dione | 2-phenyl-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50219329
PNG
(CHEMBL8968)
Show SMILES Cc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50219329
PNG
(CHEMBL8968)
Show SMILES Cc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50066441
PNG
(2-(2,6-Dimethyl-phenyl)-isoindole-1,3-dione | 2-(2...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111216
PNG
(5-Amino-2-((R)-3-methyl-2,6-dioxo-piperidin-3-yl)-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H13N3O4/c1-14(5-4-10(18)16-13(14)21)17-11(19)8-3-2-7(15)6-9(8)12(17)20/h2-3,6H,4-5,15H2,1H3,(H,16,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111221
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-4-nitro-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O6/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17(22)23)10(7)12(16)20/h2-4H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111216
PNG
(5-Amino-2-((R)-3-methyl-2,6-dioxo-piperidin-3-yl)-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H13N3O4/c1-14(5-4-10(18)16-13(14)21)17-11(19)8-3-2-7(15)6-9(8)12(17)20/h2-3,6H,4-5,15H2,1H3,(H,16,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111222
PNG
(4-Amino-2-((R)-3-methyl-2,6-dioxo-piperidin-3-yl)-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2cccc(N)c2C1=O
Show InChI InChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111209
PNG
(2-(2,3,5,6-Tetramethyl-phenyl)-isoindole-1,3-dione...)
Show SMILES Cc1cc(C)c(C)c(N2C(=O)c3ccccc3C2=O)c1C
Show InChI InChI=1S/C18H17NO2/c1-10-9-11(2)13(4)16(12(10)3)19-17(20)14-7-5-6-8-15(14)18(19)21/h5-9H,1-4H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111217
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-isoindol...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12N2O4/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-5H,6-7H2,1H3,(H,15,17,20)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111213
PNG
(2-(2,3,5-Trimethyl-phenyl)-isoindole-1,3-dione | C...)
Show SMILES Cc1cc(C)c(C)c(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO2/c1-10-8-11(2)12(3)15(9-10)18-16(19)13-6-4-5-7-14(13)17(18)20/h4-9H,1-3H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50070114
PNG
((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...)
Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111221
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-4-nitro-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O6/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17(22)23)10(7)12(16)20/h2-4H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111220
PNG
(2-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-is...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C12H7N3O4/c16-9-8(5-13-12(19)14-9)15-10(17)6-3-1-2-4-7(6)11(15)18/h1-5H,(H2,13,14,16,19)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50070114
PNG
((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...)
Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111211
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-5-nitro-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O6/c1-14(5-4-10(18)15-13(14)21)16-11(19)8-3-2-7(17(22)23)6-9(8)12(16)20/h2-3,6H,4-5H2,1H3,(H,15,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111207
PNG
(2-(2,4-Dioxo-tetrahydro-pyrimidin-1-yl)-isoindole-...)
Show SMILES O=C1N(N2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C12H9N3O4/c16-9-5-6-14(12(19)13-9)15-10(17)7-3-1-2-4-8(7)11(15)18/h1-4H,5-6H2,(H,13,16,19)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111214
PNG
(2-[2-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-eth...)
Show SMILES O=C1N(CCn2ccc(=O)[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C14H11N3O4/c18-11-5-6-16(14(21)15-11)7-8-17-12(19)9-3-1-2-4-10(9)13(17)20/h1-6H,7-8H2,(H,15,18,21)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111209
PNG
(2-(2,3,5,6-Tetramethyl-phenyl)-isoindole-1,3-dione...)
Show SMILES Cc1cc(C)c(C)c(N2C(=O)c3ccccc3C2=O)c1C
Show InChI InChI=1S/C18H17NO2/c1-10-9-11(2)13(4)16(12(10)3)19-17(20)14-7-5-6-8-15(14)18(19)21/h5-9H,1-4H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111217
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-isoindol...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H12N2O4/c1-14(7-6-10(17)15-13(14)20)16-11(18)8-4-2-3-5-9(8)12(16)19/h2-5H,6-7H2,1H3,(H,15,17,20)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111219
PNG
(2-(2-Oxo-piperidin-3-yl)-isoindole-1,3-dione | CHE...)
Show SMILES O=C1N(C2CCCNC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111207
PNG
(2-(2,4-Dioxo-tetrahydro-pyrimidin-1-yl)-isoindole-...)
Show SMILES O=C1N(N2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C12H9N3O4/c16-9-5-6-14(12(19)13-9)15-10(17)7-3-1-2-4-8(7)11(15)18/h1-4H,5-6H2,(H,13,16,19)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111213
PNG
(2-(2,3,5-Trimethyl-phenyl)-isoindole-1,3-dione | C...)
Show SMILES Cc1cc(C)c(C)c(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO2/c1-10-8-11(2)12(3)15(9-10)18-16(19)13-6-4-5-7-14(13)17(18)20/h4-9H,1-3H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111219
PNG
(2-(2-Oxo-piperidin-3-yl)-isoindole-1,3-dione | CHE...)
Show SMILES O=C1N(C2CCCNC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111214
PNG
(2-[2-(2,4-Dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-eth...)
Show SMILES O=C1N(CCn2ccc(=O)[nH]c2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C14H11N3O4/c18-11-5-6-16(14(21)15-11)7-8-17-12(19)9-3-1-2-4-10(9)13(17)20/h1-6H,7-8H2,(H,15,18,21)
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n/an/a 1.23E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111211
PNG
(2-((R)-3-Methyl-2,6-dioxo-piperidin-3-yl)-5-nitro-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O6/c1-14(5-4-10(18)15-13(14)21)16-11(19)8-3-2-7(17(22)23)6-9(8)12(16)20/h2-3,6H,4-5H2,1H3,(H,15,18,21)/t14-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111222
PNG
(4-Amino-2-((R)-3-methyl-2,6-dioxo-piperidin-3-yl)-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2cccc(N)c2C1=O
Show InChI InChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m1/s1
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111212
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yl)-4H-isoquinoline-1...)
Show SMILES COc1cc(OC)nc(n1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O4/c1-21-11-8-12(22-2)17-15(16-11)18-13(19)7-9-5-3-4-6-10(9)14(18)20/h3-8,19H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111220
PNG
(2-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-is...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C12H7N3O4/c16-9-8(5-13-12(19)14-9)15-10(17)6-3-1-2-4-7(6)11(15)18/h1-5H,(H2,13,14,16,19)
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111224
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yl)-4H-isoquinoline-1,...)
Show SMILES Cc1cc(C)nc(n1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-13(19)8-11-5-3-4-6-12(11)14(18)20/h3-8,19H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111208
PNG
(2-(4,6-Dimethyl-pyridin-2-yl)-4H-isoquinoline-1,3-...)
Show SMILES Cc1cc(C)nc(c1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2/c1-10-7-11(2)17-14(8-10)18-15(19)9-12-5-3-4-6-13(12)16(18)20/h3-9,19H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111223
PNG
(2-(3,5-Dimethyl-phenyl)-isoindole-1,3-dione | CHEM...)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-7-11(2)9-12(8-10)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-9H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111224
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yl)-4H-isoquinoline-1,...)
Show SMILES Cc1cc(C)nc(n1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-13(19)8-11-5-3-4-6-12(11)14(18)20/h3-8,19H,1-2H3
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n/an/a 8.33E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111215
PNG
(2-(4-Methoxy-6-methyl-pyrimidin-2-yl)-4H-isoquinol...)
Show SMILES COc1cc(C)nc(n1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O3/c1-9-7-12(21-2)17-15(16-9)18-13(19)8-10-5-3-4-6-11(10)14(18)20/h3-8,19H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111212
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yl)-4H-isoquinoline-1...)
Show SMILES COc1cc(OC)nc(n1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O4/c1-21-11-8-12(22-2)17-15(16-11)18-13(19)7-9-5-3-4-6-10(9)14(18)20/h3-8,19H,1-2H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111208
PNG
(2-(4,6-Dimethyl-pyridin-2-yl)-4H-isoquinoline-1,3-...)
Show SMILES Cc1cc(C)nc(c1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2/c1-10-7-11(2)17-14(8-10)18-15(19)9-12-5-3-4-6-13(12)16(18)20/h3-9,19H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111223
PNG
(2-(3,5-Dimethyl-phenyl)-isoindole-1,3-dione | CHEM...)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-7-11(2)9-12(8-10)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-9H,1-2H3
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n/an/a 1.32E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111215
PNG
(2-(4-Methoxy-6-methyl-pyrimidin-2-yl)-4H-isoquinol...)
Show SMILES COc1cc(C)nc(n1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O3/c1-9-7-12(21-2)17-15(16-9)18-13(19)8-10-5-3-4-6-11(10)14(18)20/h3-8,19H,1-2H3
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n/an/a 2.17E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111210
PNG
(2-(3,5-Dimethyl-phenyl)-4H-isoquinoline-1,3-dione ...)
Show SMILES Cc1cc(C)cc(c1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO2/c1-11-7-12(2)9-14(8-11)18-16(19)10-13-5-3-4-6-15(13)17(18)20/h3-10,19H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) of the compound against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50111210
PNG
(2-(3,5-Dimethyl-phenyl)-4H-isoquinoline-1,3-dione ...)
Show SMILES Cc1cc(C)cc(c1)-n1c(O)cc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO2/c1-11-7-12(2)9-14(8-11)18-16(19)10-13-5-3-4-6-15(13)17(18)20/h3-10,19H,1-2H3
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n/an/a 9.52E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) of the compound against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%