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Found 69 hits of Enz. Inhib. data with enzyme = 'Cyclooxygenase' and Substrate = 'BDBM22319'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Homo sapiens (human))
BDBM22955
PNG
(4-methoxyphenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-...)
Show SMILES COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1
Show InChI InChI=1S/C26H22ClNO5/c1-16-22(15-25(29)33-20-10-8-19(31-2)9-11-20)23-14-21(32-3)12-13-24(23)28(16)26(30)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3
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PubMed
n/an/a 40n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22967
PNG
(2-phenylethyl 2-{1-[(4-chlorophenyl)carbonyl]-5-me...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCc3ccccc3)c2c1
Show InChI InChI=1S/C27H24ClNO4/c1-18-23(17-26(30)33-15-14-19-6-4-3-5-7-19)24-16-22(32-2)12-13-25(24)29(18)27(31)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3
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n/an/a 50n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22959
PNG
(CHEMBL96954 | Indomethacin derivative, 12 | pyridi...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3cccnc3)c2c1
Show InChI InChI=1S/C24H19ClN2O4/c1-15-20(13-23(28)31-19-4-3-11-26-14-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3
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n/an/a 50n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22971
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
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n/an/a 50n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM22962
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1
Show InChI InChI=1S/C24H20ClN3O3/c1-15-20(13-23(29)27-18-4-3-11-26-14-18)21-12-19(31-2)9-10-22(21)28(15)24(30)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3,(H,27,29)
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n/an/a 50n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22957
PNG
(2-(methylsulfanyl)phenyl 2-{1-[(4-chlorophenyl)car...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccccc3SC)c2c1
Show InChI InChI=1S/C26H22ClNO4S/c1-16-20(15-25(29)32-23-6-4-5-7-24(23)33-3)21-14-19(31-2)12-13-22(21)28(16)26(30)17-8-10-18(27)11-9-17/h4-14H,15H2,1-3H3
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n/an/a 60n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22966
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3ccccc3)c2c1
Show InChI InChI=1S/C27H25ClN2O3/c1-18-23(17-26(31)29-15-14-19-6-4-3-5-7-19)24-16-22(33-2)12-13-25(24)30(18)27(32)20-8-10-21(28)11-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,29,31)
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n/an/a 60n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22961
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C25H20ClFN2O3/c1-15-21(14-24(30)28-19-9-7-18(27)8-10-19)22-13-20(32-2)11-12-23(22)29(15)25(31)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3,(H,28,30)
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n/an/a 60n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22973
PNG
(CHEMBL149213 | Meclofenamic acid derivative, 25 | ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl
Show InChI InChI=1S/C17H17Cl3N2O/c1-11-7-8-13(19)16(15(11)20)22-14-6-3-2-5-12(14)17(23)21-10-4-9-18/h2-3,5-8,22H,4,9-10H2,1H3,(H,21,23)
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n/an/a 60n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(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 70n/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
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM22979
PNG
(CHEMBL148629 | Meclofenamic acid derivative, 31 | ...)
Show SMILES COC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
Show InChI InChI=1S/C17H16Cl2N2O3/c1-10-7-8-12(18)16(15(10)19)21-13-6-4-3-5-11(13)17(23)20-9-14(22)24-2/h3-8,21H,9H2,1-2H3,(H,20,23)
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n/an/a 70n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22958
PNG
(4-fluorophenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-m...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C25H19ClFNO4/c1-15-21(14-24(29)32-19-9-7-18(27)8-10-19)22-13-20(31-2)11-12-23(22)28(15)25(30)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3
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n/an/a 75n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
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
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))
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 100n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22960
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(SC)cc3)c2c1
Show InChI InChI=1S/C26H23ClN2O3S/c1-16-22(15-25(30)28-19-8-11-21(33-3)12-9-19)23-14-20(32-2)10-13-24(23)29(16)26(31)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3,(H,28,30)
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n/an/a 120n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22954
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c2c1
Show InChI InChI=1S/C27H24ClN3O4/c1-16-23(15-26(33)30-21-10-8-20(9-11-21)29-17(2)32)24-14-22(35-3)12-13-25(24)31(16)27(34)18-4-6-19(28)7-5-18/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33)
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n/an/a 120n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22975
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenox...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl
Show InChI InChI=1S/C22H20Cl2N2O2/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-13-14-28-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)
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n/an/a 150n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
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))
BDBM22977
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]-N-[(4-nitro...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccc(cc2)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C21H17Cl2N3O4/c1-13-6-11-17(22)20(19(13)23)24-18-5-3-2-4-16(18)21(27)25-30-12-14-7-9-15(10-8-14)26(28)29/h2-11,24H,12H2,1H3,(H,25,27)
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n/an/a 200n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22953
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1
Show InChI InChI=1S/C21H21ClN2O4/c1-13-17(12-20(26)23-9-10-25)18-11-16(28-2)7-8-19(18)24(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,25H,9-10,12H2,1-2H3,(H,23,26)
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n/an/a 250n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22952
PNG
(CHEMBL73572 | Indomethacin derivative, 5 | methyl ...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
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n/an/a 250n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
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))
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))
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))
BDBM22956
PNG
(4-(methylsulfanyl)phenyl 2-{1-[(4-chlorophenyl)car...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(SC)cc3)c2c1
Show InChI InChI=1S/C26H22ClNO4S/c1-16-22(15-25(29)32-19-8-11-21(33-3)12-9-19)23-14-20(31-2)10-13-24(23)28(16)26(30)17-4-6-18(27)7-5-17/h4-14H,15H2,1-3H3
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n/an/a 300n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22370
PNG
(1,3-Diarylprop-2-yn-1-one, 27 | 3-(4-methanesulfon...)
Show SMILES CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O3S2/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 320n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
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 320n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22980
PNG
(2-({2-[(2,6-dichloro-3-methylphenyl)amino]phenyl}f...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(O)=O)c1Cl
Show InChI InChI=1S/C16H14Cl2N2O3/c1-9-6-7-11(17)15(14(9)18)20-12-5-3-2-4-10(12)16(23)19-8-13(21)22/h2-7,20H,8H2,1H3,(H,19,23)(H,21,22)
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n/an/a 400n/an/an/an/an/an/a



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
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))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
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/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
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
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 500n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22359
PNG
(1,3-Diarylprop-2-yn-1-one, 13p | methyl 4-[3-(4-me...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H14O5S/c1-23-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(11-4-13)24(2,21)22/h3-4,6-11H,1-2H3
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n/an/a 540n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22974
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-hydrox...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl
Show InChI InChI=1S/C16H16Cl2N2O2/c1-10-6-7-12(17)15(14(10)18)20-13-5-3-2-4-11(13)16(22)19-8-9-21/h2-7,20-21H,8-9H2,1H3,(H,19,22)
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n/an/a 600n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22363
PNG
(1,3-Diarylprop-2-yn-1-one, 17c | 3-(4-methanesulfo...)
Show SMILES COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-25-21-14-12-18(17-5-3-4-6-19(17)21)20(22)13-9-15-7-10-16(11-8-15)26(2,23)24/h3-8,10-12,14H,1-2H3
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n/an/a 600n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22951
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H19ClN2O3/c1-12-16(11-19(24)22-2)17-10-15(26-3)8-9-18(17)23(12)20(25)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3,(H,22,24)
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n/an/a 700n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22965
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(N)=O)c2c1
Show InChI InChI=1S/C19H17ClN2O3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H2,21,23)
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n/an/a 700n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 750n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM22976
PNG
(CHEMBL358222 | Meclofenamic acid derivative, 28 | ...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccccc2)c1Cl
Show InChI InChI=1S/C21H18Cl2N2O2/c1-14-11-12-17(22)20(19(14)23)24-18-10-6-5-9-16(18)21(26)25-27-13-15-7-3-2-4-8-15/h2-12,24H,13H2,1H3,(H,25,26)
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n/an/a 1.00E+3n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
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 1.00E+3n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
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 1.00E+3n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 2.40E+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
Cyclooxygenase


(Homo sapiens (human))
BDBM22970
PNG
(2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H...)
Show SMILES COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18BrNO3/c1-12-16(10-19(22)23)17-9-15(24-2)7-8-18(17)21(12)11-13-3-5-14(20)6-4-13/h3-9H,10-11H2,1-2H3,(H,22,23)
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n/an/a 2.50E+3n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22362
PNG
(1,3-Diarylprop-2-yn-1-one, 17b | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H14O3S/c1-24(22,23)17-12-9-15(10-13-17)11-14-20(21)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,12-13H,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22368
PNG
(1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5S/c1-23(21,22)15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(11-13)17(19)20/h2-6,8-9,11H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



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
Cyclooxygenase


(Homo sapiens (human))
BDBM22978
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]-N-(2-phenyl...)
Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCc2ccccc2)c1Cl
Show InChI InChI=1S/C22H20Cl2N2O/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-14-13-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)
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n/an/a 4.50E+3n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22972
PNG
(2-[(2,6-dichloro-3-methylphenyl)amino]-N-methylben...)
Show SMILES CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O/c1-9-7-8-11(16)14(13(9)17)19-12-6-4-3-5-10(12)15(20)18-2/h3-8,19H,1-2H3,(H,18,20)
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n/an/a 5.50E+3n/an/an/an/an/a37



Vanderbilt University School of Medicine



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


Proc Natl Acad Sci U S A 97: 925-30 (2000)


Article DOI: 10.1073/pnas.97.2.925
BindingDB Entry DOI: 10.7270/Q2XP736G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22366
PNG
(1,3-Diarylprop-2-yn-1-one, 26a | 3-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
Show InChI InChI=1S/C13H9NO4S/c1-19(16,17)11-5-2-10(3-6-11)4-7-12(15)13-8-9-14-18-13/h2-3,5-6,8-9H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



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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