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PubMed code 15050635

Compile data set for download or QSAR
Found 18 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))
BDBM50143476
PNG
(4-(1-Benzhydrylidene-pentyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C25H26O3S/c1-3-4-15-24(20-16-18-23(19-17-20)29(26,27)28-2)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
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n/an/a 14n/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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143475
PNG
(4-(1-Benzhydrylidene-heptyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C27H30O3S/c1-3-4-5-12-17-26(22-18-20-25(21-19-22)31(28,29)30-2)27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-21H,3-5,12,17H2,1-2H3
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n/an/a 31n/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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 57n/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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143479
PNG
(4-(1-Methyl-2,2-diphenyl-vinyl)-benzenesulfonic ac...)
Show SMILES [#6]-[#8]S(=O)(=O)c1ccc(cc1)-[#6](\[#6])=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H20O3S/c1-17(18-13-15-21(16-14-18)26(23,24)25-2)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3
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n/an/a 470n/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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143479
PNG
(4-(1-Methyl-2,2-diphenyl-vinyl)-benzenesulfonic ac...)
Show SMILES [#6]-[#8]S(=O)(=O)c1ccc(cc1)-[#6](\[#6])=[#6](\c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H20O3S/c1-17(18-13-15-21(16-14-18)26(23,24)25-2)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3
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n/an/a 630n/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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143477
PNG
(4-(1-Benzhydrylidene-decyl)-benzenesulfonic acid m...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C30H36O3S/c1-3-4-5-6-7-8-15-20-29(25-21-23-28(24-22-25)34(31,32)33-2)30(26-16-11-9-12-17-26)27-18-13-10-14-19-27/h9-14,16-19,21-24H,3-8,15,20H2,1-2H3
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n/an/a 1.10E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143474
PNG
(4-(1-Benzhydrylidene-propyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C23H22O3S/c1-3-22(18-14-16-21(17-15-18)27(24,25)26-2)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,3H2,1-2H3
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n/an/a 1.25E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143475
PNG
(4-(1-Benzhydrylidene-heptyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C27H30O3S/c1-3-4-5-12-17-26(22-18-20-25(21-19-22)31(28,29)30-2)27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-21H,3-5,12,17H2,1-2H3
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n/an/a 1.68E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143478
PNG
(4-(1-Benzhydrylidene-hexyl)-benzenesulfonic acid m...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C26H28O3S/c1-3-4-7-16-25(21-17-19-24(20-18-21)30(27,28)29-2)26(22-12-8-5-9-13-22)23-14-10-6-11-15-23/h5-6,8-15,17-20H,3-4,7,16H2,1-2H3
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n/an/a 2.00E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143478
PNG
(4-(1-Benzhydrylidene-hexyl)-benzenesulfonic acid m...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C26H28O3S/c1-3-4-7-16-25(21-17-19-24(20-18-21)30(27,28)29-2)26(22-12-8-5-9-13-22)23-14-10-6-11-15-23/h5-6,8-15,17-20H,3-4,7,16H2,1-2H3
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n/an/a 4.76E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 2.30E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143474
PNG
(4-(1-Benzhydrylidene-propyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C23H22O3S/c1-3-22(18-14-16-21(17-15-18)27(24,25)26-2)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,3H2,1-2H3
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n/an/a 3.16E+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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143480
PNG
(4-(1-Benzhydrylidene-hexadecyl)-benzenesulfonic ac...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C36H48O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-35(31-27-29-34(30-28-31)40(37,38)39-2)36(32-22-17-15-18-23-32)33-24-19-16-20-25-33/h15-20,22-25,27-30H,3-14,21,26H2,1-2H3
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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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143476
PNG
(4-(1-Benzhydrylidene-pentyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C25H26O3S/c1-3-4-15-24(20-16-18-23(19-17-20)29(26,27)28-2)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
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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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143477
PNG
(4-(1-Benzhydrylidene-decyl)-benzenesulfonic acid m...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C30H36O3S/c1-3-4-5-6-7-8-15-20-29(25-21-23-28(24-22-25)34(31,32)33-2)30(26-16-11-9-12-17-26)27-18-13-10-14-19-27/h9-14,16-19,21-24H,3-8,15,20H2,1-2H3
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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 against prostaglandin G/H synthase 1 from ovine


Bioorg Med Chem Lett 14: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50143480
PNG
(4-(1-Benzhydrylidene-hexadecyl)-benzenesulfonic ac...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C36H48O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-35(31-27-29-34(30-28-31)40(37,38)39-2)36(32-22-17-15-18-23-32)33-24-19-16-20-25-33/h15-20,22-25,27-30H,3-14,21,26H2,1-2H3
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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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
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: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%