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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'dadrass' and Initial = 'og'   
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))
BDBM50346138
PNG
(3-benzyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazina...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C18H19NO3S2/c1-24(21,22)16-9-7-15(8-10-16)18-19(17(20)11-12-23-18)13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3
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Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
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 assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
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



Assay Description
The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...


Med Chem Res 19: 782-793 (2009)


BindingDB Entry DOI: 10.7270/Q2T72G2X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
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



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 17: 5634-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.084
BindingDB Entry DOI: 10.7270/Q22807BC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50346139
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenethyl-1,3-thiaz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCCC(=O)N1CCc1ccccc1
Show InChI InChI=1S/C19H21NO3S2/c1-25(22,23)17-9-7-16(8-10-17)19-20(18(21)12-14-24-19)13-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
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Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
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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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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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))
BDBM50346142
PNG
(2-(4-(methylsulfonyl)phenyl)-3-pentyl-1,3-thiazina...)
Show SMILES CCCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H23NO3S2/c1-3-4-5-11-17-15(18)10-12-21-16(17)13-6-8-14(9-7-13)22(2,19)20/h6-9,16H,3-5,10-12H2,1-2H3
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Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50346141
PNG
(3-butyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan...)
Show SMILES CCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-3-4-10-16-14(17)9-11-20-15(16)12-5-7-13(8-6-12)21(2,18)19/h5-8,15H,3-4,9-11H2,1-2H3
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Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
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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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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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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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))
BDBM50346140
PNG
(2-(4-(methylsulfonyl)phenyl)-3-propyl-1,3-thiazina...)
Show SMILES CCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3
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Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233180
PNG
(1-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)ur...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50221108
PNG
(3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)thi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCC(=O)N1c1ccc(F)cc1 |w:10.10|
Show InChI InChI=1S/C16H14FNO3S2/c1-23(20,21)14-8-2-11(3-9-14)16-18(15(19)10-22-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
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Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 17: 5634-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.084
BindingDB Entry DOI: 10.7270/Q22807BC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233178
PNG
(1-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 130n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50221106
PNG
(2-(4-(methylsulfonyl)phenyl)-3-p-tolylthiazolidin-...)
Show SMILES Cc1ccc(cc1)N1C(SCC1=O)c1ccc(cc1)S(C)(=O)=O |w:8.14|
Show InChI InChI=1S/C17H17NO3S2/c1-12-3-7-14(8-4-12)18-16(19)11-22-17(18)13-5-9-15(10-6-13)23(2,20)21/h3-10,17H,11H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 17: 5634-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.084
BindingDB Entry DOI: 10.7270/Q22807BC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50221107
PNG
(3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)th...)
Show SMILES COc1ccc(cc1)N1C(SCC1=O)c1ccc(cc1)S(C)(=O)=O |w:9.15|
Show InChI InChI=1S/C17H17NO4S2/c1-22-14-7-5-13(6-8-14)18-16(19)11-23-17(18)12-3-9-15(10-4-12)24(2,20)21/h3-10,17H,11H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 17: 5634-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.084
BindingDB Entry DOI: 10.7270/Q22807BC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233182
PNG
(1-(4-(methylsulfonyl)phenyl)-3-phenylurea | CHEMBL...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16,17)
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n/an/a 170n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50221105
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenylthiazolidin-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCC(=O)N1c1ccccc1 |w:10.10|
Show InChI InChI=1S/C16H15NO3S2/c1-22(19,20)14-9-7-12(8-10-14)16-17(15(18)11-21-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 17: 5634-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.084
BindingDB Entry DOI: 10.7270/Q22807BC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM93103
PNG
(COX inhibitor, 5a)
Show SMILES O=C1COC(N1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15NO2/c18-15-12-19-16(14-9-5-2-6-10-14)17(15)11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
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n/an/a 210n/an/an/an/an/an/a



Shahid Beheshti University



Assay Description
The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...


Med Chem Res 19: 782-793 (2009)


BindingDB Entry DOI: 10.7270/Q2T72G2X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM93105
PNG
(COX inhibitor, 8)
Show SMILES CC1OC(N(Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C17H17NO2/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Shahid Beheshti University



Assay Description
The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...


Med Chem Res 19: 782-793 (2009)


BindingDB Entry DOI: 10.7270/Q2T72G2X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233179
PNG
(1-(4-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 270n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM93104
PNG
(COX inhibitor, 5b)
Show SMILES O=C1CSC(N1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15NOS/c18-15-12-19-16(14-9-5-2-6-10-14)17(15)11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
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n/an/a 320n/an/an/an/an/an/a



Shahid Beheshti University



Assay Description
The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...


Med Chem Res 19: 782-793 (2009)


BindingDB Entry DOI: 10.7270/Q2T72G2X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233181
PNG
(1-(4-(methylsulfonyl)phenyl)-3-p-tolylurea | CHEMB...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O3S/c1-11-3-5-12(6-4-11)16-15(18)17-13-7-9-14(10-8-13)21(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 330n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM93106
PNG
(COX inhibitor, 9)
Show SMILES CC1SC(N(Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Shahid Beheshti University



Assay Description
The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...


Med Chem Res 19: 782-793 (2009)


BindingDB Entry DOI: 10.7270/Q2T72G2X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233182
PNG
(1-(4-(methylsulfonyl)phenyl)-3-phenylurea | CHEMBL...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16,17)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233181
PNG
(1-(4-(methylsulfonyl)phenyl)-3-p-tolylurea | CHEMB...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O3S/c1-11-3-5-12(6-4-11)16-15(18)17-13-7-9-14(10-8-13)21(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
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))
BDBM50346140
PNG
(2-(4-(methylsulfonyl)phenyl)-3-propyl-1,3-thiazina...)
Show SMILES CCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C14H19NO3S2/c1-3-9-15-13(16)8-10-19-14(15)11-4-6-12(7-5-11)20(2,17)18/h4-7,14H,3,8-10H2,1-2H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
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))
BDBM50346141
PNG
(3-butyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazinan...)
Show SMILES CCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-3-4-10-16-14(17)9-11-20-15(16)12-5-7-13(8-6-12)21(2,18)19/h5-8,15H,3-4,9-11H2,1-2H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50346142
PNG
(2-(4-(methylsulfonyl)phenyl)-3-pentyl-1,3-thiazina...)
Show SMILES CCCCCN1C(SCCC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H23NO3S2/c1-3-4-5-11-17-15(18)10-12-21-16(17)13-6-8-14(9-7-13)22(2,19)20/h6-9,16H,3-5,10-12H2,1-2H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50346139
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenethyl-1,3-thiaz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCCC(=O)N1CCc1ccccc1
Show InChI InChI=1S/C19H21NO3S2/c1-25(22,23)17-9-7-16(8-10-17)19-20(18(21)12-14-24-19)13-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50346138
PNG
(3-benzyl-2-(4-(methylsulfonyl)phenyl)-1,3-thiazina...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1SCCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C18H19NO3S2/c1-24(21,22)16-9-7-15(8-10-16)18-19(17(20)11-12-23-18)13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3
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n/an/a 1.72E+4n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
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))
BDBM50233179
PNG
(1-(4-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233178
PNG
(1-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 2.18E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
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))
BDBM50233180
PNG
(1-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)ur...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
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
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



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
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 assay


Bioorg Med Chem Lett 19: 3162-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.125
BindingDB Entry DOI: 10.7270/Q2XG9RGM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
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



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 17: 5634-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.084
BindingDB Entry DOI: 10.7270/Q22807BC
More data for this
Ligand-Target Pair
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