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Compile Data Set for Download or QSAR

Found 13322 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase'   
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22569
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](C)CO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-13(12-26)24-21(27)11-18-14(2)25(20-9-8-17(29-3)10-19(18)20)22(28)15-4-6-16(23)7-5-15/h4-10,13,26H,11-12H2,1-3H3,(H,24,27)/t13-/m1/s1
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n/an/a 3.30E+4n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22571
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](C)CO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-13(12-26)24-21(27)11-18-14(2)25(20-9-8-17(29-3)10-19(18)20)22(28)15-4-6-16(23)7-5-15/h4-10,13,26H,11-12H2,1-3H3,(H,24,27)/t13-/m0/s1
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n/an/a 590n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22572
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/a 5.90E+4n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22573
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m0/s1
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n/an/a 350n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22574
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CCSC)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-20(13-23(29)26-18(14-28)10-11-32-3)21-12-19(31-2)8-9-22(21)27(15)24(30)16-4-6-17(25)7-5-16/h4-9,12,18,28H,10-11,13-14H2,1-3H3,(H,26,29)/t18-/m1/s1
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n/an/a 5.10E+4n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22575
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](CO)CCSC)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-20(13-23(29)26-18(14-28)10-11-32-3)21-12-19(31-2)8-9-22(21)27(15)24(30)16-4-6-17(25)7-5-16/h4-9,12,18,28H,10-11,13-14H2,1-3H3,(H,26,29)/t18-/m0/s1
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n/an/a 2.30E+3n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22576
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)c3ccccc3)c2c1
Show InChI InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m0/s1
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n/an/a 4.70E+4n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22577
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](CO)c3ccccc3)c2c1
Show InChI InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m1/s1
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n/an/a<1.30E+3n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22569
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](C)CO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-13(12-26)24-21(27)11-18-14(2)25(20-9-8-17(29-3)10-19(18)20)22(28)15-4-6-16(23)7-5-15/h4-10,13,26H,11-12H2,1-3H3,(H,24,27)/t13-/m1/s1
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n/an/a 170n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22571
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](C)CO)c2c1
Show InChI InChI=1S/C22H23ClN2O4/c1-13(12-26)24-21(27)11-18-14(2)25(20-9-8-17(29-3)10-19(18)20)22(28)15-4-6-16(23)7-5-15/h4-10,13,26H,11-12H2,1-3H3,(H,24,27)/t13-/m0/s1
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n/an/a 270n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22572
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/a 100n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22573
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m0/s1
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n/an/a 280n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22574
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CCSC)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-20(13-23(29)26-18(14-28)10-11-32-3)21-12-19(31-2)8-9-22(21)27(15)24(30)16-4-6-17(25)7-5-16/h4-9,12,18,28H,10-11,13-14H2,1-3H3,(H,26,29)/t18-/m1/s1
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n/an/a 250n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22575
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](CO)CCSC)c2c1
Show InChI InChI=1S/C24H27ClN2O4S/c1-15-20(13-23(29)26-18(14-28)10-11-32-3)21-12-19(31-2)8-9-22(21)27(15)24(30)16-4-6-17(25)7-5-16/h4-9,12,18,28H,10-11,13-14H2,1-3H3,(H,26,29)/t18-/m0/s1
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n/an/a 1.00E+3n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22576
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)c3ccccc3)c2c1
Show InChI InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m0/s1
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n/an/a 440n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22577
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](CO)c3ccccc3)c2c1
Show InChI InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m1/s1
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n/an/a 85n/an/an/an/a8.037



Michigan State University



Assay Description
For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by t...


J Biol Chem 282: 28096-105 (2007)


Article DOI: 10.1074/jbc.M701335200
BindingDB Entry DOI: 10.7270/Q2R49P2D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235660
PNG
(3-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one (...)
Show SMILES O=c1oc2ccccc2cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H10N2O3/c20-17-13(10-12-8-4-5-9-14(12)21-17)16-19-18-15(22-16)11-6-2-1-3-7-11/h1-10H
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n/an/a<1.00E+5n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 3.50E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235662
PNG
(3-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one ...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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n/an/a 4.16E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235664
PNG
(3-[5-(4-Chloro-phenylamino)-[1,3,4]oxadiazol-2-yl]...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H10ClN3O3/c18-11-5-7-12(8-6-11)19-17-21-20-15(24-17)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H,19,21)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235665
PNG
(3-(5-o-Tolylamino-[1,3,4]oxadiazol-2-yl)-chromen-2...)
Show SMILES Cc1ccccc1Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H13N3O3/c1-11-6-2-4-8-14(11)19-18-21-20-16(24-18)13-10-12-7-3-5-9-15(12)23-17(13)22/h2-10H,1H3,(H,19,21)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235666
PNG
(4-Chloro-N-[5-(2-oxo-2H-chromen-3-yl)-[1,3,4]oxadi...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H10ClN3O4/c19-12-7-5-10(6-8-12)15(23)20-18-22-21-16(26-18)13-9-11-3-1-2-4-14(11)25-17(13)24/h1-9H,(H,20,22,23)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235660
PNG
(3-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one (...)
Show SMILES O=c1oc2ccccc2cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H10N2O3/c20-17-13(10-12-8-4-5-9-14(12)21-17)16-19-18-15(22-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 8.70E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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 3.05E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 1.20E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235662
PNG
(3-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one ...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3
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n/an/a 1.18E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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n/an/a 400n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235664
PNG
(3-[5-(4-Chloro-phenylamino)-[1,3,4]oxadiazol-2-yl]...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H10ClN3O3/c18-11-5-7-12(8-6-11)19-17-21-20-15(24-17)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H,19,21)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235665
PNG
(3-(5-o-Tolylamino-[1,3,4]oxadiazol-2-yl)-chromen-2...)
Show SMILES Cc1ccccc1Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H13N3O3/c1-11-6-2-4-8-14(11)19-18-21-20-16(24-18)13-10-12-7-3-5-9-15(12)23-17(13)22/h2-10H,1H3,(H,19,21)
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n/an/a 3.66E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235666
PNG
(4-Chloro-N-[5-(2-oxo-2H-chromen-3-yl)-[1,3,4]oxadi...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H10ClN3O4/c19-12-7-5-10(6-8-12)15(23)20-18-22-21-16(26-18)13-9-11-3-1-2-4-14(11)25-17(13)24/h1-9H,(H,20,22,23)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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 90n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22335
PNG
((5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-thiaz...)
Show SMILES Oc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)
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n/an/a 1.58E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22339
PNG
((5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thiazol...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)
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n/an/a 1.41E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22342
PNG
((5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)
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n/an/a 1.25E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22342
PNG
((5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)
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n/an/a 2.62E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22344
PNG
(1,3-Diarylprop-2-yn-1-one, 13a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
Show InChI InChI=1S/C16H12O3S/c1-20(18,19)15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,1H3
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n/an/a 1.00E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22345
PNG
(1,3-Diarylprop-2-yn-1-one, 13b | 3-(4-methanesulfo...)
Show SMILES Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S/c1-13-3-8-15(9-4-13)17(18)12-7-14-5-10-16(11-6-14)21(2,19)20/h3-6,8-11H,1-2H3
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n/an/a>1.00E+5n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22346
PNG
(1,3-Diarylprop-2-yn-1-one, 13c | 3-(4-methanesulfo...)
Show SMILES CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(13-8-16)23(2,21)22/h5-8,10-13H,3-4H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22347
PNG
(1,3-Diarylprop-2-yn-1-one, 13d | 1-(4-butylphenyl)...)
Show SMILES CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H20O3S/c1-3-4-5-16-6-11-18(12-7-16)20(21)15-10-17-8-13-19(14-9-17)24(2,22)23/h6-9,11-14H,3-5H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22348
PNG
(1,3-Diarylprop-2-yn-1-one, 13e | 3-(4-methanesulfo...)
Show SMILES CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18O3S/c1-14(2)16-7-9-17(10-8-16)19(20)13-6-15-4-11-18(12-5-15)23(3,21)22/h4-5,7-12,14H,1-3H3
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n/an/a 9.20E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22349
PNG
(1,3-Diarylprop-2-yn-1-one, 13f | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3O3S/c1-24(22,23)15-9-2-12(3-10-15)4-11-16(21)13-5-7-14(8-6-13)17(18,19)20/h2-3,5-10H,1H3
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n/an/a 3.10E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22350
PNG
(1,3-Diarylprop-2-yn-1-one, 13g | 4-[3-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H11NO3S/c1-22(20,21)16-9-4-13(5-10-16)6-11-17(19)15-7-2-14(12-18)3-8-15/h2-5,7-10H,1H3
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n/an/a 3.15E+4n/an/an/an/a8.037



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Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22351
PNG
(1,3-Diarylprop-2-yn-1-one, 13h | 1-(4-fluorophenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FO3S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10H,1H3
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n/an/a 3.00E+4n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22352
PNG
(1,3-Diarylprop-2-yn-1-one, 13i | 1-(3,4-difluoroph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F2O3S/c1-22(20,21)13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,1H3
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n/an/a 3.10E+3n/an/an/an/a8.037



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Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22353
PNG
(1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfo...)
Show SMILES COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-8-6-14(7-9-15)17(18)12-5-13-3-10-16(11-4-13)22(2,19)20/h3-4,6-11H,1-2H3
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n/an/a 3.15E+4n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22354
PNG
(1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,17H,1H3
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n/an/a 3.50E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22355
PNG
(1,3-Diarylprop-2-yn-1-one, 13l | 3-(4-methanesulfo...)
Show SMILES COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O4S/c1-21-15-5-3-4-14(12-15)17(18)11-8-13-6-9-16(10-7-13)22(2,19)20/h3-7,9-10,12H,1-2H3
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University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22356
PNG
(1,3-Diarylprop-2-yn-1-one, 13m | 1-(3-hydroxypheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H12O4S/c1-21(19,20)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-6,8-9,11,17H,1H3
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University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
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n/an/a 3.30E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
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