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PubMed code 27916468

Compile data set for download or QSAR
Found 36 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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207432
PNG
(CHEMBL3909479)
Show SMILES COc1ccc(cc1)-c1nc(NCC(O)=O)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H18N2O4S/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-19(21-17)20-11-16(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 320n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
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 340n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207431
PNG
(CHEMBL3892572)
Show SMILES OC(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
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n/an/a 420n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207435
PNG
(CHEMBL3960755)
Show SMILES COc1ccc(cc1)-c1ncn(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)18-19(21(12-20-18)11-17(22)23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,23)
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n/an/a 540n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207430
PNG
(CHEMBL3924357)
Show SMILES OC(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c20-15(21)11-19-12-18-16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21)
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n/an/a 670n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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 710n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207425
PNG
(CHEMBL3935079)
Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCN(C)CC2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N4O3S/c1-27-12-14-28(15-13-27)21(29)16-25-24-26-22(17-4-8-19(30-2)9-5-17)23(32-24)18-6-10-20(31-3)11-7-18/h4-11H,12-16H2,1-3H3,(H,25,26)
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n/an/a 2.72E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207434
PNG
(CHEMBL3981625)
Show SMILES CN1CCN(CC1)C(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-25-12-14-26(15-13-25)19(27)16-23-22-24-20(17-8-4-2-5-9-17)21(28-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,24)
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n/an/a 3.04E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207428
PNG
(CHEMBL3952057)
Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCN(C)CC2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N4O3/c1-26-12-14-27(15-13-26)22(29)16-28-17-25-23(18-4-8-20(30-2)9-5-18)24(28)19-6-10-21(31-3)11-7-19/h4-11,17H,12-16H2,1-3H3
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n/an/a 3.06E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207436
PNG
(CHEMBL3927662)
Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCOCC2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-23(25-21)24-15-20(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,25)
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n/an/a 4.01E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207426
PNG
(CHEMBL3915359)
Show SMILES CN1CCN(CC1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-24-12-14-25(15-13-24)20(27)16-26-17-23-21(18-8-4-2-5-9-18)22(26)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3
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n/an/a 4.17E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207437
PNG
(CHEMBL3934363)
Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCOCC2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25N3O4/c1-28-19-7-3-17(4-8-19)22-23(18-5-9-20(29-2)10-6-18)26(16-24-22)15-21(27)25-11-13-30-14-12-25/h3-10,16H,11-15H2,1-2H3
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n/an/a 5.09E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207433
PNG
(CHEMBL3901520)
Show SMILES O=C(CNc1nc(c(s1)-c1ccccc1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O2S/c25-18(24-11-13-26-14-12-24)15-22-21-23-19(16-7-3-1-4-8-16)20(27-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23)
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n/an/a 5.76E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207427
PNG
(CHEMBL3952880)
Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCCCC2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H27N3O3S/c1-29-19-10-6-17(7-11-19)22-23(18-8-12-20(30-2)13-9-18)31-24(26-22)25-16-21(28)27-14-4-3-5-15-27/h6-13H,3-5,14-16H2,1-2H3,(H,25,26)
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n/an/a 6.01E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207439
PNG
(CHEMBL3937416)
Show SMILES O=C(Cn1cnc(c1-c1ccccc1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O2/c25-19(23-11-13-26-14-12-23)15-24-16-22-20(17-7-3-1-4-8-17)21(24)18-9-5-2-6-10-18/h1-10,16H,11-15H2
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n/an/a 6.32E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207436
PNG
(CHEMBL3927662)
Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCOCC2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25N3O4S/c1-28-18-7-3-16(4-8-18)21-22(17-5-9-19(29-2)10-6-17)31-23(25-21)24-15-20(27)26-11-13-30-14-12-26/h3-10H,11-15H2,1-2H3,(H,24,25)
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n/an/a 6.89E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207424
PNG
(CHEMBL3920270)
Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCCCC2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H27N3O3/c1-29-20-10-6-18(7-11-20)23-24(19-8-12-21(30-2)13-9-19)27(17-25-23)16-22(28)26-14-4-3-5-15-26/h6-13,17H,3-5,14-16H2,1-2H3
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n/an/a 7.34E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207425
PNG
(CHEMBL3935079)
Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCN(C)CC2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N4O3S/c1-27-12-14-28(15-13-27)21(29)16-25-24-26-22(17-4-8-19(30-2)9-5-17)23(32-24)18-6-10-20(31-3)11-7-18/h4-11H,12-16H2,1-3H3,(H,25,26)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207423
PNG
(CHEMBL3910569)
Show SMILES O=C(CNc1nc(c(s1)-c1ccccc1)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C22H23N3OS/c26-19(25-14-8-3-9-15-25)16-23-22-24-20(17-10-4-1-5-11-17)21(27-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,23,24)
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n/an/a 7.99E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207433
PNG
(CHEMBL3901520)
Show SMILES O=C(CNc1nc(c(s1)-c1ccccc1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O2S/c25-18(24-11-13-26-14-12-24)15-22-21-23-19(16-7-3-1-4-8-16)20(27-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,23)
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n/an/a 8.28E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50207428
PNG
(CHEMBL3952057)
Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCN(C)CC2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N4O3/c1-26-12-14-27(15-13-26)22(29)16-28-17-25-23(18-4-8-20(30-2)9-5-18)24(28)19-6-10-21(31-3)11-7-19/h4-11,17H,12-16H2,1-3H3
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n/an/a 8.32E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50207438
PNG
(CHEMBL3906394)
Show SMILES O=C(Cn1cnc(c1-c1ccccc1)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C22H23N3O/c26-20(24-14-8-3-9-15-24)16-25-17-23-21(18-10-4-1-5-11-18)22(25)19-12-6-2-7-13-19/h1-2,4-7,10-13,17H,3,8-9,14-16H2
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n/an/a 8.51E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207437
PNG
(CHEMBL3934363)
Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCOCC2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25N3O4/c1-28-19-7-3-17(4-8-19)22-23(18-5-9-20(29-2)10-6-18)26(16-24-22)15-21(27)25-11-13-30-14-12-25/h3-10,16H,11-15H2,1-2H3
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n/an/a 9.12E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207432
PNG
(CHEMBL3909479)
Show SMILES COc1ccc(cc1)-c1nc(NCC(O)=O)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H18N2O4S/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-19(21-17)20-11-16(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
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n/an/a 9.23E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207426
PNG
(CHEMBL3915359)
Show SMILES CN1CCN(CC1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-24-12-14-25(15-13-24)20(27)16-26-17-23-21(18-8-4-2-5-9-18)22(26)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3
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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 human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207431
PNG
(CHEMBL3892572)
Show SMILES OC(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207434
PNG
(CHEMBL3981625)
Show SMILES CN1CCN(CC1)C(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-25-12-14-26(15-13-25)19(27)16-23-22-24-20(17-8-4-2-5-9-17)21(28-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
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 1.11E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207439
PNG
(CHEMBL3937416)
Show SMILES O=C(Cn1cnc(c1-c1ccccc1)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C21H21N3O2/c25-19(23-11-13-26-14-12-23)15-24-16-22-20(17-7-3-1-4-8-17)21(24)18-9-5-2-6-10-18/h1-10,16H,11-15H2
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n/an/a 1.11E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207435
PNG
(CHEMBL3960755)
Show SMILES COc1ccc(cc1)-c1ncn(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)18-19(21(12-20-18)11-17(22)23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,23)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207438
PNG
(CHEMBL3906394)
Show SMILES O=C(Cn1cnc(c1-c1ccccc1)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C22H23N3O/c26-20(24-14-8-3-9-15-24)16-25-17-23-21(18-10-4-1-5-11-18)22(25)19-12-6-2-7-13-19/h1-2,4-7,10-13,17H,3,8-9,14-16H2
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n/an/a 1.31E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207430
PNG
(CHEMBL3924357)
Show SMILES OC(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c20-15(21)11-19-12-18-16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (human))
BDBM50207424
PNG
(CHEMBL3920270)
Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCCCC2)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H27N3O3/c1-29-20-10-6-18(7-11-20)23-24(19-8-12-21(30-2)13-9-19)27(17-25-23)16-22(28)26-14-4-3-5-15-26/h6-13,17H,3-5,14-16H2,1-2H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50207423
PNG
(CHEMBL3910569)
Show SMILES O=C(CNc1nc(c(s1)-c1ccccc1)-c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C22H23N3OS/c26-19(25-14-8-3-9-15-25)16-23-22-24-20(17-10-4-1-5-11-17)21(27-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,23,24)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50207427
PNG
(CHEMBL3952880)
Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCCCC2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H27N3O3S/c1-29-19-10-6-17(7-11-19)22-23(18-8-12-20(30-2)13-9-18)31-24(26-22)25-16-21(28)27-14-4-3-5-15-27/h6-13H,3-5,14-16H2,1-2H3,(H,25,26)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
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 1.62E+4n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...


Bioorg Med Chem 25: 665-676 (2017)


Article DOI: 10.1016/j.bmc.2016.11.037
BindingDB Entry DOI: 10.7270/Q2542QKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%