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PubMed code 19560931

Compile data set for download or QSAR
Found 15 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))		BDBM50300865
PNG
(7,8,9,10-Tetrahydro-2-(4-(methylsulfonyl)phenyl)be...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3CCCCc3c2n1
Show InChI InChI=1S/C21H19NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h6-12H,2-5H2,1H3,(H,23,24)
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n/an/a 43n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50300866
PNG
(2-(4-(Methylsulfonyl)phenyl)benzo[h]quinoline-4-ca...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3ccccc3c2n1
Show InChI InChI=1S/C21H15NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h2-12H,1H3,(H,23,24)
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n/an/a 54n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
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 60n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50300867
PNG
(2-(4-(Methylsulfonyl)phenyl)-8-phenyl-quinoline-4-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cccc(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-12-10-16(11-13-17)21-14-20(23(25)26)19-9-5-8-18(22(19)24-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,26)
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n/an/a 71n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50300868
PNG
(7,8-Dimethyl-2-(4-(methylsulfonyl)phenyl)quinoline...)
Show SMILES Cc1ccc2c(cc(nc2c1C)-c1ccc(cc1)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c1-11-4-9-15-16(19(21)22)10-17(20-18(15)12(11)2)13-5-7-14(8-6-13)25(3,23)24/h4-10H,1-3H3,(H,21,22)
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n/an/a 75n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50300864
PNG
(5-methoxy-2-(4-(methylsulfonyl)phenyl)-1H-indole |...)
Show SMILES COc1ccc2[nH]c(cc2c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO3S/c1-20-13-5-8-15-12(9-13)10-16(17-15)11-3-6-14(7-4-11)21(2,18)19/h3-10,17H,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50300869
PNG
(8-Methyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-c...)
Show SMILES Cc1cccc2c(cc(nc12)-c1ccc(cc1)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H15NO4S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(9-7-12)24(2,22)23/h3-10H,1-2H3,(H,20,21)
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n/an/a 86n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50300870
PNG
(2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
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n/an/a 91n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50300870
PNG
(2-(4-(methylsulfonyl)phenyl)-quinoline-4-carboxyli...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50300869
PNG
(8-Methyl-2-(4-(methylsulfonyl)phenyl)quinoline-4-c...)
Show SMILES Cc1cccc2c(cc(nc12)-c1ccc(cc1)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H15NO4S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(9-7-12)24(2,22)23/h3-10H,1-2H3,(H,20,21)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50300868
PNG
(7,8-Dimethyl-2-(4-(methylsulfonyl)phenyl)quinoline...)
Show SMILES Cc1ccc2c(cc(nc2c1C)-c1ccc(cc1)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H17NO4S/c1-11-4-9-15-16(19(21)22)10-17(20-18(15)12(11)2)13-5-7-14(8-6-13)25(3,23)24/h4-10H,1-3H3,(H,21,22)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50300867
PNG
(2-(4-(Methylsulfonyl)phenyl)-8-phenyl-quinoline-4-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cccc(-c3ccccc3)c2n1
Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-12-10-16(11-13-17)21-14-20(23(25)26)19-9-5-8-18(22(19)24-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,26)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50300866
PNG
(2-(4-(Methylsulfonyl)phenyl)benzo[h]quinoline-4-ca...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3ccccc3c2n1
Show InChI InChI=1S/C21H15NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h2-12H,1H3,(H,23,24)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50300865
PNG
(7,8,9,10-Tetrahydro-2-(4-(methylsulfonyl)phenyl)be...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(O)=O)c2ccc3CCCCc3c2n1
Show InChI InChI=1S/C21H19NO4S/c1-27(25,26)15-9-6-14(7-10-15)19-12-18(21(23)24)17-11-8-13-4-2-3-5-16(13)20(17)22-19/h6-12H,2-5H2,1H3,(H,23,24)
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n/an/a 2.21E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
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 2.43E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent enzyme assay

Bioorg Med Chem 17: 5312-7 (2009)


Article DOI: 10.1016/j.bmc.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NS0TZX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%