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PubMed code 17067801

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))
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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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50197398
PNG
(3-(4-chlorophenyl)-4-(4-methylsulfonamidophenyl)-2...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Cl)cc1 |t:12|
Show InChI InChI=1S/C17H14ClNO4S/c1-24(21,22)19-14-8-4-11(5-9-14)15-10-23-17(20)16(15)12-2-6-13(18)7-3-12/h2-9,19H,10H2,1H3
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n/an/a 800n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50197396
PNG
(3-(4-methylphenyl)-4-(4-methylsulfonamidophenyl)-2...)
Show SMILES Cc1ccc(cc1)C1=C(COC1=O)c1ccc(NS(C)(=O)=O)cc1 |t:8|
Show InChI InChI=1S/C18H17NO4S/c1-12-3-5-14(6-4-12)17-16(11-23-18(17)20)13-7-9-15(10-8-13)19-24(2,21)22/h3-10,19H,11H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50197394
PNG
(4-(4-methylsulfonamidophenyl)-3-phenyl-2(5H)furano...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
Show InChI InChI=1S/C17H15NO4S/c1-23(20,21)18-14-9-7-12(8-10-14)15-11-22-17(19)16(15)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50197395
PNG
(3-(4-bromophenyl)-4-(4-methylsulfonamidophenyl)-2(...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Br)cc1 |t:12|
Show InChI InChI=1S/C17H14BrNO4S/c1-24(21,22)19-14-8-4-11(5-9-14)15-10-23-17(20)16(15)12-2-6-13(18)7-3-12/h2-9,19H,10H2,1H3
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PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50197397
PNG
(3-(4-fluorophenyl)-4-(4-methylsulfonamidophenyl)-2...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)cc1 |t:12|
Show InChI InChI=1S/C17H14FNO4S/c1-24(21,22)19-14-8-4-11(5-9-14)15-10-23-17(20)16(15)12-2-6-13(18)7-3-12/h2-9,19H,10H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50197397
PNG
(3-(4-fluorophenyl)-4-(4-methylsulfonamidophenyl)-2...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)cc1 |t:12|
Show InChI InChI=1S/C17H14FNO4S/c1-24(21,22)19-14-8-4-11(5-9-14)15-10-23-17(20)16(15)12-2-6-13(18)7-3-12/h2-9,19H,10H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50197393
PNG
(3-(4-methoxyphenyl)-4-(4-methylsulfonamidophenyl)-...)
Show SMILES COc1ccc(cc1)C1=C(COC1=O)c1ccc(NS(C)(=O)=O)cc1 |t:9|
Show InChI InChI=1S/C18H17NO5S/c1-23-15-9-5-13(6-10-15)17-16(11-24-18(17)20)12-3-7-14(8-4-12)19-25(2,21)22/h3-10,19H,11H2,1-2H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50197398
PNG
(3-(4-chlorophenyl)-4-(4-methylsulfonamidophenyl)-2...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Cl)cc1 |t:12|
Show InChI InChI=1S/C17H14ClNO4S/c1-24(21,22)19-14-8-4-11(5-9-14)15-10-23-17(20)16(15)12-2-6-13(18)7-3-12/h2-9,19H,10H2,1H3
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50197394
PNG
(4-(4-methylsulfonamidophenyl)-3-phenyl-2(5H)furano...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:12|
Show InChI InChI=1S/C17H15NO4S/c1-23(20,21)18-14-9-7-12(8-10-14)15-11-22-17(19)16(15)13-5-3-2-4-6-13/h2-10,18H,11H2,1H3
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50197395
PNG
(3-(4-bromophenyl)-4-(4-methylsulfonamidophenyl)-2(...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccc(Br)cc1 |t:12|
Show InChI InChI=1S/C17H14BrNO4S/c1-24(21,22)19-14-8-4-11(5-9-14)15-10-23-17(20)16(15)12-2-6-13(18)7-3-12/h2-9,19H,10H2,1H3
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n/an/a 3.55E+4n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
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 Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50197393
PNG
(3-(4-methoxyphenyl)-4-(4-methylsulfonamidophenyl)-...)
Show SMILES COc1ccc(cc1)C1=C(COC1=O)c1ccc(NS(C)(=O)=O)cc1 |t:9|
Show InChI InChI=1S/C18H17NO5S/c1-23-15-9-5-13(6-10-15)17-16(11-24-18(17)20)12-3-7-14(8-4-12)19-25(2,21)22/h3-10,19H,11H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50197396
PNG
(3-(4-methylphenyl)-4-(4-methylsulfonamidophenyl)-2...)
Show SMILES Cc1ccc(cc1)C1=C(COC1=O)c1ccc(NS(C)(=O)=O)cc1 |t:8|
Show InChI InChI=1S/C18H17NO4S/c1-12-3-5-14(6-4-12)17-16(11-23-18(17)20)13-7-9-15(10-8-13)19-24(2,21)22/h3-10,19H,11H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta Edmonton

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 15: 1056-61 (2006)


Article DOI: 10.1016/j.bmc.2006.10.023
BindingDB Entry DOI: 10.7270/Q2GQ6XD1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%