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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50031722   
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))
BDBM50317931
PNG
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317932
PNG
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-3,4...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317924
PNG
((2R*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-4-pheny...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18ClNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317930
PNG
((2R*,3S*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-3,4...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22FNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 1.11n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317929
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)-2-(4-fluor...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(F)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27FO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 1.28n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317920
PNG
((2R*,4R*,6S*)-Tetrahydro-2,4-diphenyl-6-(thiocyana...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19NO2S/c20-14-23-13-17-11-19(21,16-9-5-2-6-10-16)12-18(22-17)15-7-3-1-4-8-15/h1-10,17-18,21H,11-13H2/t17-,18+,19-/m0/s1
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n/an/a 1.47n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317928
PNG
((2R*,3S*,4R*,6S*)-Tetrahydro-2,3,4-triphenyl-6-(th...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H23NO2S/c26-18-29-17-22-16-25(27,21-14-8-3-9-15-21)23(19-10-4-1-5-11-19)24(28-22)20-12-6-2-7-13-20/h1-15,22-24,27H,16-17H2/t22-,23-,24-,25-/m0/s1
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n/an/a 1.55n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317927
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H28O2S/c1-2-29-19-23-18-26(27,22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)25(28-23)21-14-8-4-9-15-21/h3-17,23-25,27H,2,18-19H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 1.72n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317923
PNG
((2R*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio)met...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23ClO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 1.82n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317921
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophe...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 2.05n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317919
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 2.07n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317933
PNG
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Br)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27BrO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317922
PNG
((2R*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-4-pheny...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18FNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 3.57n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317926
PNG
((2R*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-4-phenyl...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18BrNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 4.01n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317934
PNG
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-3,4-...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22BrNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 4.03n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317925
PNG
((2R*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)meth...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23BrO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 5.49n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
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 70n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317918
PNG
((2S*,4R*,6S*)-Tetrahydro-2-methyl-4-phenyl-6-(thio...)
Show SMILES C[C@H]1C[C@@](O)(C[C@@H](CSC#N)O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H17NO2S/c1-11-7-14(16,12-5-3-2-4-6-12)8-13(17-11)9-18-10-15/h2-6,11,13,16H,7-9H2,1H3/t11-,13-,14+/m0/s1
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n/an/a 117n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317917
PNG
((2S*,4R*,6S*)-2-((Ethylthio)methyl)tetrahydro-6-me...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@H](C)O1)c1ccccc1 |r|
Show InChI InChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1
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n/an/a 175n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317926
PNG
((2R*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-4-phenyl...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18BrNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 209n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317917
PNG
((2S*,4R*,6S*)-2-((Ethylthio)methyl)tetrahydro-6-me...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@H](C)O1)c1ccccc1 |r|
Show InChI InChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1
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n/an/a 347n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317918
PNG
((2S*,4R*,6S*)-Tetrahydro-2-methyl-4-phenyl-6-(thio...)
Show SMILES C[C@H]1C[C@@](O)(C[C@@H](CSC#N)O1)c1ccccc1 |r|
Show InChI InChI=1S/C14H17NO2S/c1-11-7-14(16,12-5-3-2-4-6-12)8-13(17-11)9-18-10-15/h2-6,11,13,16H,7-9H2,1H3/t11-,13-,14+/m0/s1
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n/an/a 368n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317923
PNG
((2R*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio)met...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23ClO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 413n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317922
PNG
((2R*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-4-pheny...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18FNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 488n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
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



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317925
PNG
((2R*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)meth...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23BrO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 562n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317924
PNG
((2R*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-4-pheny...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18ClNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 664n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317921
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophe...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317920
PNG
((2R*,4R*,6S*)-Tetrahydro-2,4-diphenyl-6-(thiocyana...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19NO2S/c20-14-23-13-17-11-19(21,16-9-5-2-6-10-16)12-18(22-17)15-7-3-1-4-8-15/h1-10,17-18,21H,11-13H2/t17-,18+,19-/m0/s1
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n/an/a 2.79E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317919
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 2.93E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317931
PNG
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317934
PNG
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-3,4-...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22BrNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317927
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H28O2S/c1-2-29-19-23-18-26(27,22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)25(28-23)21-14-8-4-9-15-21/h3-17,23-25,27H,2,18-19H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317933
PNG
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Br)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27BrO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 2.38E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317932
PNG
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-3,4...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 2.87E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317930
PNG
((2R*,3S*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-3,4...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22FNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 2.89E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
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 3.31E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317929
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)-2-(4-fluor...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(F)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27FO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50317928
PNG
((2R*,3S*,4R*,6S*)-Tetrahydro-2,3,4-triphenyl-6-(th...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H23NO2S/c26-18-29-17-22-16-25(27,21-14-8-3-9-15-21)23(19-10-4-1-5-11-19)24(28-22)20-12-6-2-7-13-20/h1-15,22-24,27H,16-17H2/t22-,23-,24-,25-/m0/s1
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PubMed
n/an/a 6.40E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
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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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair