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PubMed code 15050636

Compile data set for download or QSAR
Found 14 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 2


(Ovis aries (Sheep))		BDBM50143486
PNG
(CHEMBL366422 | N-Acetyl-4-[4-(4-methanesulfonyl-ph...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(C)(=O)=O |t:14|
Show InChI InChI=1S/C19H17NO7S2/c1-12(21)20-29(25,26)16-9-3-13(4-10-16)17-11-27-19(22)18(17)14-5-7-15(8-6-14)28(2,23)24/h3-10H,11H2,1-2H3,(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a>430n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50143481
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(=O)(=O)[N-][N+]#N |t:11|
Show InChI InChI=1S/C17H13N3O6S2/c1-27(22,23)13-6-4-12(5-7-13)16-15(10-26-17(16)21)11-2-8-14(9-3-11)28(24,25)20-19-18/h2-9H,10H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50143484
PNG
(CHEMBL368597 | N-Acetyl-4-[4-(4-methanesulfonyl-ph...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O |t:14|
Show InChI InChI=1S/C19H17NO7S2/c1-12(21)20-29(25,26)16-9-5-14(6-10-16)18-17(11-27-19(18)22)13-3-7-15(8-4-13)28(2,23)24/h3-10H,11H2,1-2H3,(H,20,21)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50143484
PNG
(CHEMBL368597 | N-Acetyl-4-[4-(4-methanesulfonyl-ph...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O |t:14|
Show InChI InChI=1S/C19H17NO7S2/c1-12(21)20-29(25,26)16-9-5-14(6-10-16)18-17(11-27-19(18)22)13-3-7-15(8-4-13)28(2,23)24/h3-10H,11H2,1-2H3,(H,20,21)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50143485
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-2-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(=O)(=O)[N-][N+]#N |t:11|
Show InChI InChI=1S/C17H13N3O6S2/c1-27(22,23)13-6-2-11(3-7-13)15-10-26-17(21)16(15)12-4-8-14(9-5-12)28(24,25)20-19-18/h2-9H,10H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50143485
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-2-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(=O)(=O)[N-][N+]#N |t:11|
Show InChI InChI=1S/C17H13N3O6S2/c1-27(22,23)13-6-2-11(3-7-13)15-10-26-17(21)16(15)12-4-8-14(9-5-12)28(24,25)20-19-18/h2-9H,10H2,1H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50143481
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(=O)(=O)[N-][N+]#N |t:11|
Show InChI InChI=1S/C17H13N3O6S2/c1-27(22,23)13-6-4-12(5-7-13)16-15(10-26-17(16)21)11-2-8-14(9-3-11)28(24,25)20-19-18/h2-9H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50143483
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(N)(=O)=O |t:11|
Show InChI InChI=1S/C17H15NO6S2/c1-25(20,21)13-6-4-12(5-7-13)16-15(10-24-17(16)19)11-2-8-14(9-3-11)26(18,22)23/h2-9H,10H2,1H3,(H2,18,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50143483
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(N)(=O)=O |t:11|
Show InChI InChI=1S/C17H15NO6S2/c1-25(20,21)13-6-4-12(5-7-13)16-15(10-24-17(16)19)11-2-8-14(9-3-11)26(18,22)23/h2-9H,10H2,1H3,(H2,18,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50143482
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-2-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(N)(=O)=O |t:11|
Show InChI InChI=1S/C17H15NO6S2/c1-25(20,21)13-6-2-11(3-7-13)15-10-24-17(19)16(15)12-4-8-14(9-5-12)26(18,22)23/h2-9H,10H2,1H3,(H2,18,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50143482
PNG
(4-[4-(4-Methanesulfonyl-phenyl)-2-oxo-2,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(N)(=O)=O |t:11|
Show InChI InChI=1S/C17H15NO6S2/c1-25(20,21)13-6-2-11(3-7-13)15-10-24-17(19)16(15)12-4-8-14(9-5-12)26(18,22)23/h2-9H,10H2,1H3,(H2,18,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50143486
PNG
(CHEMBL366422 | N-Acetyl-4-[4-(4-methanesulfonyl-ph...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(C)(=O)=O |t:14|
Show InChI InChI=1S/C19H17NO7S2/c1-12(21)20-29(25,26)16-9-3-13(4-10-16)17-11-27-19(22)18(17)14-5-7-15(8-6-14)28(2,23)24/h3-10H,11H2,1-2H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 1 from ovine

Bioorg Med Chem Lett 14: 1957-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.076
BindingDB Entry DOI: 10.7270/Q20P0ZFX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%