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PubMed code 15341950

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 1


(Ovis aries (Sheep))
BDBM50152545
PNG
(1-[(E)-1-ethyl-2-(4-methylphenyl)vinyl]-4-(methyls...)
Show SMILES CC\C(=C/c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20O2S/c1-4-16(13-15-7-5-14(2)6-8-15)17-9-11-18(12-10-17)21(3,19)20/h5-13H,4H2,1-3H3/b16-13+
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n/an/a 30n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
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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PubMed
n/an/a 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
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 500n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50152543
PNG
(1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H26O2S/c1-3-4-5-9-12-20(17-18-10-7-6-8-11-18)19-13-15-21(16-14-19)24(2,22)23/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b20-17+
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n/an/a 770n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50152547
PNG
(1-(methylsulfonyl)-4-[(E)-2-phenyl-1-propylvinyl]b...)
Show SMILES CCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20O2S/c1-3-7-17(14-15-8-5-4-6-9-15)16-10-12-18(13-11-16)21(2,19)20/h4-6,8-14H,3,7H2,1-2H3/b17-14+
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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 concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50152544
PNG
(1-[(E)-1-ethyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18O2S/c1-3-15(13-14-7-5-4-6-8-14)16-9-11-17(12-10-16)20(2,18)19/h4-13H,3H2,1-2H3/b15-13+
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50152546
PNG
(1-[(E)-1-octyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CCCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H28O2S/c1-3-4-5-6-10-13-21(18-19-11-8-7-9-12-19)20-14-16-22(17-15-20)25(2,23)24/h7-9,11-12,14-18H,3-6,10,13H2,1-2H3/b21-18+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50152545
PNG
(1-[(E)-1-ethyl-2-(4-methylphenyl)vinyl]-4-(methyls...)
Show SMILES CC\C(=C/c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20O2S/c1-4-16(13-15-7-5-14(2)6-8-15)17-9-11-18(12-10-17)21(3,19)20/h5-13H,4H2,1-3H3/b16-13+
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
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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PubMed
n/an/a 3.31E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50152543
PNG
(1-[(E)-1-hexyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H26O2S/c1-3-4-5-9-12-20(17-18-10-7-6-8-11-18)19-13-15-21(16-14-19)24(2,22)23/h6-8,10-11,13-17H,3-5,9,12H2,1-2H3/b20-17+
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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 concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50152547
PNG
(1-(methylsulfonyl)-4-[(E)-2-phenyl-1-propylvinyl]b...)
Show SMILES CCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H20O2S/c1-3-7-17(14-15-8-5-4-6-9-15)16-10-12-18(13-11-16)21(2,19)20/h4-6,8-14H,3,7H2,1-2H3/b17-14+
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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 concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
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>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50152544
PNG
(1-[(E)-1-ethyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18O2S/c1-3-15(13-14-7-5-4-6-8-14)16-9-11-17(12-10-16)20(2,18)19/h4-13H,3H2,1-2H3/b15-13+
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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 concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50152546
PNG
(1-[(E)-1-octyl-2-phenylvinyl]-4-(methylsulfonyl)be...)
Show SMILES CCCCCCC\C(=C/c1ccccc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H28O2S/c1-3-4-5-6-10-13-21(18-19-11-8-7-9-12-19)20-14-16-22(17-15-20)25(2,23)24/h7-9,11-12,14-18H,3-6,10,13H2,1-2H3/b21-18+
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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 concentration against ovine Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 4911-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.027
BindingDB Entry DOI: 10.7270/Q2348JVS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%