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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'al-hourani' and Initial = 'bj'   
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
Cyclooxygenase


(Homo sapiens (human))
BDBM50366159
PNG
(CHEMBL1957450)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C17H22N4O5S/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(23)21-14(8-27)16(24)20-13(7-22)17(25)26/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,24)(H,21,23)(H,25,26)/t11-,13-,14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by ELISA


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
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 30n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 by fluorescence assay


Bioorg Med Chem Lett 21: 1823-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.057
BindingDB Entry DOI: 10.7270/Q2KD1Z6P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 40n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 60n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50338296
PNG
(1-(4-methoxyphenyl)-5-(4-(methylsulfonyl)phenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nnnc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16-17-18-19)11-3-9-14(10-4-11)23(2,20)21/h3-10H,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 by fluorescence assay


Bioorg Med Chem Lett 21: 1823-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.057
BindingDB Entry DOI: 10.7270/Q2KD1Z6P
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50338297
PNG
(1-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-1H...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nnnn1-c1ccc(F)cc1
Show InChI InChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-2-10(3-9-13)14-16-17-18-19(14)12-6-4-11(15)5-7-12/h2-9H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 by fluorescence assay


Bioorg Med Chem Lett 21: 1823-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.057
BindingDB Entry DOI: 10.7270/Q2KD1Z6P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50366157
PNG
(CHEMBL1955883)
Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C13H15FN2O5S/c14-8-3-1-7(2-4-8)11(18)16-10(6-22)12(19)15-9(5-17)13(20)21/h1-4,9-10,17,22H,5-6H2,(H,15,19)(H,16,18)(H,20,21)/t9-,10-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50366159
PNG
(CHEMBL1957450)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C17H22N4O5S/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(23)21-14(8-27)16(24)20-13(7-22)17(25)26/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,24)(H,21,23)(H,25,26)/t11-,13-,14-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365768
PNG
(CHEMBL1956396)
Show SMILES CN(C)c1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H17N5O2S/c1-20(2)13-6-4-12(5-7-13)16-17-18-19-21(16)14-8-10-15(11-9-14)24(3,22)23/h4-11H,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365760
PNG
(CHEMBL1956388)
Show SMILES CN(C)c1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N6O2S/c1-20(2)12-5-3-11(4-6-12)15-17-18-19-21(15)13-7-9-14(10-8-13)24(16,22)23/h3-10H,1-2H3,(H2,16,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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 9.40E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 by fluorescence assay


Bioorg Med Chem Lett 21: 1823-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.057
BindingDB Entry DOI: 10.7270/Q2KD1Z6P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(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 1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50366167
PNG
(CHEMBL1957568)
Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C22H24FN3O6S/c23-15-8-6-14(7-9-15)19(28)24-16(10-13-4-2-1-3-5-13)20(29)26-18(12-33)21(30)25-17(11-27)22(31)32/h1-9,16-18,27,33H,10-12H2,(H,24,28)(H,25,30)(H,26,29)(H,31,32)/t16-,17-,18-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50366158
PNG
(CHEMBL1957571)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H15FN2O6S/c15-8-3-1-7(2-4-8)12(20)17-10(6-24)13(21)16-9(14(22)23)5-11(18)19/h1-4,9-10,24H,5-6H2,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t9-,10-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50366158
PNG
(CHEMBL1957571)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H15FN2O6S/c15-8-3-1-7(2-4-8)12(20)17-10(6-24)13(21)16-9(14(22)23)5-11(18)19/h1-4,9-10,24H,5-6H2,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t9-,10-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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 1.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50366157
PNG
(CHEMBL1955883)
Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C13H15FN2O5S/c14-8-3-1-7(2-4-8)11(18)16-10(6-22)12(19)15-9(5-17)13(20)21/h1-4,9-10,17,22H,5-6H2,(H,15,19)(H,16,18)(H,20,21)/t9-,10-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365753
PNG
(CHEMBL1956381)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccccc1
Show InChI InChI=1S/C13H11N5O2S/c14-21(19,20)12-8-6-11(7-9-12)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,19,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365764
PNG
(CHEMBL1956392)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(F)cc1
Show InChI InChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50366159
PNG
(CHEMBL1957450)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C17H22N4O5S/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(23)21-14(8-27)16(24)20-13(7-22)17(25)26/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,24)(H,21,23)(H,25,26)/t11-,13-,14-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50366167
PNG
(CHEMBL1957568)
Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C22H24FN3O6S/c23-15-8-6-14(7-9-15)19(28)24-16(10-13-4-2-1-3-5-13)20(29)26-18(12-33)21(30)25-17(11-27)22(31)32/h1-9,16-18,27,33H,10-12H2,(H,24,28)(H,25,30)(H,26,29)(H,31,32)/t16-,17-,18-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365761
PNG
(CHEMBL1956389)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c1-21(19,20)13-9-7-12(8-10-13)18-14(15-16-17-18)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365765
PNG
(CHEMBL1956393)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50338295
PNG
(5-(4-(methylsulfonyl)phenyl)-1-p-tolyl-1H-tetrazol...)
Show SMILES Cc1ccc(cc1)-n1nnnc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-7-13(8-4-11)19-15(16-17-18-19)12-5-9-14(10-6-12)22(2,20)21/h3-10H,1-2H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 by fluorescence assay


Bioorg Med Chem Lett 21: 1823-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.057
BindingDB Entry DOI: 10.7270/Q2KD1Z6P
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365756
PNG
(CHEMBL1956384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21)
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n/an/a 5.60E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365757
PNG
(CHEMBL1956385)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21)
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365767
PNG
(CHEMBL1956395)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O4S/c1-24(22,23)13-8-6-11(7-9-13)18-14(15-16-17-18)10-2-4-12(5-3-10)19(20)21/h2-9H,1H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50366168
PNG
(CHEMBL1957569)
Show SMILES OC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C24H25FN4O6S/c25-15-7-5-13(6-8-15)21(31)27-18(9-14-10-26-17-4-2-1-3-16(14)17)22(32)29-20(12-36)23(33)28-19(11-30)24(34)35/h1-8,10,18-20,26,30,36H,9,11-12H2,(H,27,31)(H,28,33)(H,29,32)(H,34,35)/t18-,19-,20-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by fluorescence assay


Bioorg Med Chem 20: 2221-6 (2012)


Article DOI: 10.1016/j.bmc.2012.02.021
BindingDB Entry DOI: 10.7270/Q2RV0P5K
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365762
PNG
(CHEMBL1956390)
Show SMILES Cc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-5-12(6-4-11)15-16-17-18-19(15)13-7-9-14(10-8-13)22(2,20)21/h3-10H,1-2H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365757
PNG
(CHEMBL1956385)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H10ClN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365756
PNG
(CHEMBL1956384)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(F)cc1
Show InChI InChI=1S/C13H10FN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365766
PNG
(CHEMBL1956394)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c1-25(23,24)13-8-6-12(7-9-13)22-14(19-20-21-22)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365763
PNG
(CHEMBL1956391)
Show SMILES COc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-22-13-7-3-11(4-8-13)15-16-17-18-19(15)12-5-9-14(10-6-12)23(2,20)21/h3-10H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365759
PNG
(CHEMBL1956387)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O4S/c14-24(22,23)12-7-5-10(6-8-12)18-13(15-16-17-18)9-1-3-11(4-2-9)19(20)21/h1-8H,(H2,14,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365758
PNG
(CHEMBL1956386)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N5O2S/c15-14(16,17)10-3-1-9(2-4-10)13-19-20-21-22(13)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,18,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365755
PNG
(CHEMBL1956383)
Show SMILES COc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O3S/c1-22-12-6-2-10(3-7-12)14-16-17-18-19(14)11-4-8-13(9-5-11)23(15,20)21/h2-9H,1H3,(H2,15,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50365754
PNG
(CHEMBL1956382)
Show SMILES Cc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O2S/c1-10-2-4-11(5-3-10)14-16-17-18-19(14)12-6-8-13(9-7-12)22(15,20)21/h2-9H,1H3,(H2,15,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365768
PNG
(CHEMBL1956396)
Show SMILES CN(C)c1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H17N5O2S/c1-20(2)13-6-4-12(5-7-13)16-17-18-19-21(16)14-8-10-15(11-9-14)24(3,22)23/h4-11H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365767
PNG
(CHEMBL1956395)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O4S/c1-24(22,23)13-8-6-11(7-9-13)18-14(15-16-17-18)10-2-4-12(5-3-10)19(20)21/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365766
PNG
(CHEMBL1956394)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c1-25(23,24)13-8-6-12(7-9-13)22-14(19-20-21-22)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365765
PNG
(CHEMBL1956393)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H11ClN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365764
PNG
(CHEMBL1956392)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(F)cc1
Show InChI InChI=1S/C14H11FN4O2S/c1-22(20,21)13-8-6-12(7-9-13)19-14(16-17-18-19)10-2-4-11(15)5-3-10/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365763
PNG
(CHEMBL1956391)
Show SMILES COc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-22-13-7-3-11(4-8-13)15-16-17-18-19(15)12-5-9-14(10-6-12)23(2,20)21/h3-10H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365762
PNG
(CHEMBL1956390)
Show SMILES Cc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-5-12(6-4-11)15-16-17-18-19(15)13-7-9-14(10-8-13)22(2,20)21/h3-10H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365761
PNG
(CHEMBL1956389)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c1-21(19,20)13-9-7-12(8-10-13)18-14(15-16-17-18)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365760
PNG
(CHEMBL1956388)
Show SMILES CN(C)c1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N6O2S/c1-20(2)12-5-3-11(4-6-12)15-17-18-19-21(15)13-7-9-14(10-8-13)24(16,22)23/h3-10H,1-2H3,(H2,16,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365759
PNG
(CHEMBL1956387)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O4S/c14-24(22,23)12-7-5-10(6-8-12)18-13(15-16-17-18)9-1-3-11(4-2-9)19(20)21/h1-8H,(H2,14,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365753
PNG
(CHEMBL1956381)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccccc1
Show InChI InChI=1S/C13H11N5O2S/c14-21(19,20)12-8-6-11(7-9-12)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365755
PNG
(CHEMBL1956383)
Show SMILES COc1ccc(cc1)-c1nnnn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O3S/c1-22-12-6-2-10(3-7-12)14-16-17-18-19(14)11-4-8-13(9-5-11)23(15,20)21/h2-9H,1H3,(H2,15,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50365758
PNG
(CHEMBL1956386)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnnc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F3N5O2S/c15-14(16,17)10-3-1-9(2-4-10)13-19-20-21-22(13)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,18,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 22: 2235-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.093
BindingDB Entry DOI: 10.7270/Q2S182ZH
More data for this
Ligand-Target Pair
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