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PubMed code 26691756

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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))
BDBM50134554
PNG
(CHEMBL3747206)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
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n/an/a 560n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
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 870n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50134572
PNG
(CHEMBL3746265)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C20H16F3N3O2S2/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
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n/an/a 970n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50134586
PNG
(CHEMBL3746730)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O
Show InChI InChI=1S/C15H14N2O4S2/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134552
PNG
(CHEMBL3747437)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccco1
Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134585
PNG
(CHEMBL3747566)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O
Show InChI InChI=1S/C14H13N3O4S2/c15-23(20,21)10-5-3-9(4-6-10)17-12(13-2-1-7-22-13)8-11(16-17)14(18)19/h1-7,12H,8H2,(H,18,19)(H2,15,20,21)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134573
PNG
(CHEMBL3745861)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccco1
Show InChI InChI=1S/C22H23N3O6S/c1-28-20-11-14(12-21(29-2)22(20)30-3)18-13-17(19-5-4-10-31-19)24-25(18)15-6-8-16(9-7-15)32(23,26)27/h4-12,18H,13H2,1-3H3,(H2,23,26,27)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134551
PNG
(CHEMBL3747733)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccco1
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134584
PNG
(CHEMBL3746878)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)C(O)=O
Show InChI InChI=1S/C15H14N2O5S/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134554
PNG
(CHEMBL3747206)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1
Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134553
PNG
(CHEMBL3747306)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1cccs1
Show InChI InChI=1S/C19H16ClN3O2S2/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)
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n/an/a 2.64E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134586
PNG
(CHEMBL3746730)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O
Show InChI InChI=1S/C15H14N2O4S2/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134583
PNG
(CHEMBL3747612)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)C(O)=O
Show InChI InChI=1S/C14H13N3O5S/c15-23(20,21)10-5-3-9(4-6-10)17-12(13-2-1-7-22-13)8-11(16-17)14(18)19/h1-7,12H,8H2,(H,18,19)(H2,15,20,21)
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n/an/a 3.56E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134548
PNG
(CHEMBL3747568)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)c1ccco1
Show InChI InChI=1S/C17H15N3O3S2/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 3.65E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134550
PNG
(CHEMBL3746930)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccco1
Show InChI InChI=1S/C19H17N3O3S/c20-26(23,24)16-10-8-15(9-11-16)22-18(14-5-2-1-3-6-14)13-17(21-22)19-7-4-12-25-19/h1-12,18H,13H2,(H2,20,23,24)
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n/an/a 3.89E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134546
PNG
(CHEMBL3745732)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)c1ccco1
Show InChI InChI=1S/C17H15N3O4S/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 4.13E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM54659
PNG
(4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
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n/an/a 4.33E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134552
PNG
(CHEMBL3747437)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccco1
Show InChI InChI=1S/C19H16ClN3O3S/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)
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n/an/a 4.66E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134585
PNG
(CHEMBL3747566)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)C(O)=O
Show InChI InChI=1S/C14H13N3O4S2/c15-23(20,21)10-5-3-9(4-6-10)17-12(13-2-1-7-22-13)8-11(16-17)14(18)19/h1-7,12H,8H2,(H,18,19)(H2,15,20,21)
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n/an/a 5.41E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134572
PNG
(CHEMBL3746265)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccs1
Show InChI InChI=1S/C20H16F3N3O2S2/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)
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n/an/a 5.74E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134549
PNG
(CHEMBL3746891)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)c1cccs1
Show InChI InChI=1S/C17H15N3O2S3/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 6.11E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134547
PNG
(CHEMBL3747561)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1
Show InChI InChI=1S/C17H15N3O3S2/c18-25(21,22)13-7-5-12(6-8-13)20-15(16-3-1-9-23-16)11-14(19-20)17-4-2-10-24-17/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 6.11E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50134574
PNG
(CHEMBL3746042)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C22H23N3O5S2/c1-28-19-11-14(12-20(29-2)22(19)30-3)18-13-17(21-5-4-10-31-21)24-25(18)15-6-8-16(9-7-15)32(23,26)27/h4-12,18H,13H2,1-3H3,(H2,23,26,27)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134584
PNG
(CHEMBL3746878)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)C(O)=O
Show InChI InChI=1S/C15H14N2O5S/c1-23(20,21)11-6-4-10(5-7-11)17-13(14-3-2-8-22-14)9-12(16-17)15(18)19/h2-8,13H,9H2,1H3,(H,18,19)
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n/an/a 6.54E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
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 6.70E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134551
PNG
(CHEMBL3747733)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccco1
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
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n/an/a 6.74E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134573
PNG
(CHEMBL3745861)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccco1
Show InChI InChI=1S/C22H23N3O6S/c1-28-20-11-14(12-21(29-2)22(20)30-3)18-13-17(19-5-4-10-31-19)24-25(18)15-6-8-16(9-7-15)32(23,26)27/h4-12,18H,13H2,1-3H3,(H2,23,26,27)
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n/an/a 7.36E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134553
PNG
(CHEMBL3747306)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1cccs1
Show InChI InChI=1S/C19H16ClN3O2S2/c20-14-5-3-13(4-6-14)18-12-17(19-2-1-11-26-19)22-23(18)15-7-9-16(10-8-15)27(21,24)25/h1-11,18H,12H2,(H2,21,24,25)
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n/an/a 8.71E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134546
PNG
(CHEMBL3745732)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)c1ccco1
Show InChI InChI=1S/C17H15N3O4S/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 9.65E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134583
PNG
(CHEMBL3747612)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)C(O)=O
Show InChI InChI=1S/C14H13N3O5S/c15-23(20,21)10-5-3-9(4-6-10)17-12(13-2-1-7-22-13)8-11(16-17)14(18)19/h1-7,12H,8H2,(H,18,19)(H2,15,20,21)
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n/an/a 9.87E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134550
PNG
(CHEMBL3746930)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccco1
Show InChI InChI=1S/C19H17N3O3S/c20-26(23,24)16-10-8-15(9-11-16)22-18(14-5-2-1-3-6-14)13-17(21-22)19-7-4-12-25-19/h1-12,18H,13H2,(H2,20,23,24)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM54659
PNG
(4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydro...)
Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C20H19N3O3S2/c1-26-16-8-4-14(5-9-16)19-13-18(20-3-2-12-27-20)22-23(19)15-6-10-17(11-7-15)28(21,24)25/h2-12,19H,13H2,1H3,(H2,21,24,25)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134548
PNG
(CHEMBL3747568)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)c1ccco1
Show InChI InChI=1S/C17H15N3O3S2/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134574
PNG
(CHEMBL3746042)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1
Show InChI InChI=1S/C22H23N3O5S2/c1-28-19-11-14(12-20(29-2)22(19)30-3)18-13-17(21-5-4-10-31-21)24-25(18)15-6-8-16(9-7-15)32(23,26)27/h4-12,18H,13H2,1-3H3,(H2,23,26,27)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134547
PNG
(CHEMBL3747561)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1
Show InChI InChI=1S/C17H15N3O3S2/c18-25(21,22)13-7-5-12(6-8-13)20-15(16-3-1-9-23-16)11-14(19-20)17-4-2-10-24-17/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50134549
PNG
(CHEMBL3746891)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccs1)c1cccs1
Show InChI InChI=1S/C17H15N3O2S3/c18-25(21,22)13-7-5-12(6-8-13)20-15(17-4-2-10-24-17)11-14(19-20)16-3-1-9-23-16/h1-10,15H,11H2,(H2,18,21,22)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 26: 406-12 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.105
BindingDB Entry DOI: 10.7270/Q2J38VFT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%