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Compile Data Set for Download or QSAR

Found 2323 hits of ic50 for UniProtKB: P05979   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
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 0.700n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50219329
PNG
(CHEMBL8968)
Show SMILES Cc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50088679
PNG
(2-Phenyl-isoindole-1,3-dione | 2-phenyl-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50066441
PNG
(2-(2,6-Dimethyl-phenyl)-isoindole-1,3-dione | 2-(2...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00084-7
BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269235
PNG
(12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 1...)
Show SMILES CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C29H43NO8/c1-14(2)21(30(8)9)25(34)37-24-16(4)28(36)19(22-26(6,7)29(22,24)38-17(5)32)11-18(13-31)12-27(35)20(28)10-15(3)23(27)33/h10-11,14,16,19-22,24,31,35-36H,12-13H2,1-9H3/t16-,19+,20-,21-,22?,24-,27+,28-,29-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Nat Prod 69: 887-90 (2006)


Article DOI: 10.1021/np0504311
BindingDB Entry DOI: 10.7270/Q2DJ5FDH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269230
PNG
(12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]-4-deoxyp...)
Show SMILES CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C29H43NO7/c1-14(2)22(30(8)9)26(34)36-25-16(4)28(35)20-10-15(3)23(33)19(20)11-18(13-31)12-21(28)24-27(6,7)29(24,25)37-17(5)32/h10,12,14,16,19-22,24-25,31,35H,11,13H2,1-9H3/t16-,19-,20-,21+,22-,24?,25-,28+,29-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Nat Prod 69: 887-90 (2006)


Article DOI: 10.1021/np0504311
BindingDB Entry DOI: 10.7270/Q2DJ5FDH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269236
PNG
(3 beta-O-acetyloleanolic acid | CHEMBL503071)
Show SMILES COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
Show InChI InChI=1S/C32H50O4/c1-27(2)15-17-32(26(34)35)18-16-30(6)20(22(32)19-27)9-10-24-29(5)13-11-21(25(33)36-8)28(3,4)23(29)12-14-31(24,30)7/h9,21-24H,10-19H2,1-8H3,(H,34,35)/t21-,22+,23+,24-,29+,30-,31-,32+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Nat Prod 69: 887-90 (2006)


Article DOI: 10.1021/np0504311
BindingDB Entry DOI: 10.7270/Q2DJ5FDH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
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 3.70n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 16: 4483-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.032
BindingDB Entry DOI: 10.7270/Q2W095JB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50189988
PNG
(CHEMBL214101 | Rofecoxib analogue)
Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)
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n/an/a 3.80n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 16: 4483-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.032
BindingDB Entry DOI: 10.7270/Q2W095JB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50325646
PNG
(1-(4-Methoxyphenyl)-3-trifluoromethyl-5-(3-methyl-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc2n(C)c(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-24-14-8-3-11(9-16(14)28-18(24)26)15-10-17(19(20,21)22)23-25(15)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50189989
PNG
(4-(4-methylphenyl)-1-[4-(5-tetrazolyl)phenyl]-3-(t...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N6/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-27(15)14-8-6-13(7-9-14)17-22-25-26-23-17/h2-10H,1H3,(H,22,23,25,26)
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n/an/a 4.10n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 16: 4483-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.032
BindingDB Entry DOI: 10.7270/Q2W095JB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50044262
PNG
(CHEMBL3314084)
Show SMILES Clc1cccc(Cl)c1N1C(=O)\C(=C\c2coc3ccccc3c2=O)c2ccccc12
Show InChI InChI=1S/C24H13Cl2NO3/c25-18-8-5-9-19(26)22(18)27-20-10-3-1-6-15(20)17(24(27)29)12-14-13-30-21-11-4-2-7-16(21)23(14)28/h1-13H/b17-12+
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n/an/a 4.70n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate incubated with enzyme for 10 mins prio...


Eur J Med Chem 77: 185-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.003
BindingDB Entry DOI: 10.7270/Q2319XH6
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 6n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis


Bioorg Med Chem 19: 5372-82 (2011)


Article DOI: 10.1016/j.bmc.2011.08.003
BindingDB Entry DOI: 10.7270/Q2JQ11D0
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 6n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins


J Med Chem 53: 4691-700 (2010)


Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB
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 6.70n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chrom...


Bioorg Med Chem Lett 22: 6745-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.082
BindingDB Entry DOI: 10.7270/Q2C82BCM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 7n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a 8.10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 8.5n/an/an/an/an/an/a



University of Hacettepe

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by fluorescence assay


Bioorg Med Chem 20: 2912-22 (2012)


Article DOI: 10.1016/j.bmc.2012.03.021
BindingDB Entry DOI: 10.7270/Q2F76DKX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038394
PNG
(CHEMBL3361119)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H17NO4S/c1-24-15-6-9-18-17(11-15)14(12-20-18)5-10-19(21)13-3-7-16(8-4-13)25(2,22)23/h3-12,20H,1-2H3/b10-5+
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n/an/a 8.60n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153352
PNG
(CHEMBL3774941)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O
Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50038401
PNG
(CHEMBL3361126)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-21-13-16(17-4-2-3-5-18(17)21)10-11-19(22)15-8-6-14(12-20)7-9-15/h2-11,13H,1H3/b11-10+
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n/an/a 9.70n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50326129
PNG
(Indometacin)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-11-15(10-17(21)22)14-4-2-3-5-16(14)20(11)18(23)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay


J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153354
PNG
(CHEMBL3775510)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C(F)(F)F)C(C)C(O)=O
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-6-12-27-22(30)31-18-9-7-8-17(13-18)19-11-10-16(15(2)21(28)29)14-20(19)23(24,25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273442
PNG
(2-(4-Chloro-6-(5-methoxy-2-methylbiphenyl-4-ylamin...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cc(C)c(cc2OC)-c2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C26H30ClN3O3S/c1-4-5-6-10-13-22(25(31)32)34-26-29-23(27)16-24(30-26)28-20-14-17(2)19(15-21(20)33-3)18-11-8-7-9-12-18/h7-9,11-12,14-16,22H,4-6,10,13H2,1-3H3,(H,31,32)(H,28,29,30)
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273441
PNG
((R)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O
Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273390
PNG
((S)-2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyri...)
Show SMILES CCCCCC[C@H](Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O
Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)/t21-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273389
PNG
(2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidi...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O
Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273388
PNG
(CHEMBL456575 | Ethyl 2-(4-(biphenyl-4-ylmethylamin...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(=O)OCC
Show InChI InChI=1S/C27H32ClN3O2S/c1-3-5-6-10-13-23(26(32)33-4-2)34-27-30-24(28)18-25(31-27)29-19-20-14-16-22(17-15-20)21-11-8-7-9-12-21/h7-9,11-12,14-18,23H,3-6,10,13,19H2,1-2H3,(H,29,30,31)
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273710
PNG
(2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)16-23(29-25)27-17-18-12-14-20(15-13-18)19-9-6-5-7-10-19/h5-7,9-10,12-16,21H,2-4,8,11,17H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a>10n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273709
PNG
(2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C24H26ClN3O2S/c1-2-3-4-8-11-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273708
PNG
(CHEMBL460615 | Ethyl 2-(4-chloro-6-(2-phenoxyethyl...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)OCC
Show InChI InChI=1S/C22H30ClN3O3S/c1-3-5-6-10-13-18(21(27)28-4-2)30-22-25-19(23)16-20(26-22)24-14-15-29-17-11-8-7-9-12-17/h7-9,11-12,16,18H,3-6,10,13-15H2,1-2H3,(H,24,25,26)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273707
PNG
(2-(4-Chloro-6-(2-phenoxyethylamino)pyrimidin-2-ylt...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C20H26ClN3O3S/c1-2-3-4-8-11-16(19(25)26)28-20-23-17(21)14-18(24-20)22-12-13-27-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273685
PNG
(2-(4-Chloro-6-(phenethylamino)pyrimidin-2-ylthio)o...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCCc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C20H26ClN3O2S/c1-2-3-4-8-11-16(19(25)26)27-20-23-17(21)14-18(24-20)22-13-12-15-9-6-5-7-10-15/h5-7,9-10,14,16H,2-4,8,11-13H2,1H3,(H,25,26)(H,22,23,24)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273684
PNG
(CHEMBL460184 | Ethyl 2-(4,6-diphenethoxypyrimidin-...)
Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)OCC
Show InChI InChI=1S/C28H34N2O4S/c1-3-5-16-24(27(31)32-4-2)35-28-29-25(33-19-17-22-12-8-6-9-13-22)21-26(30-28)34-20-18-23-14-10-7-11-15-23/h6-15,21,24H,3-5,16-20H2,1-2H3
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273683
PNG
(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273682
PNG
(2-(4,6-Diphenethoxypyrimidin-2-ylthio)acetic acid ...)
Show SMILES OC(=O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1
Show InChI InChI=1S/C22H22N2O4S/c25-21(26)16-29-22-23-19(27-13-11-17-7-3-1-4-8-17)15-20(24-22)28-14-12-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2,(H,25,26)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM24565
PNG
(2-({4-chloro-6-[(quinolin-6-ylmethyl)amino]pyrimid...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C22H25ClN4O2S/c1-2-3-4-5-8-18(21(28)29)30-22-26-19(23)13-20(27-22)25-14-15-9-10-17-16(12-15)7-6-11-24-17/h6-7,9-13,18H,2-5,8,14H2,1H3,(H,28,29)(H,25,26,27)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50253880
PNG
(2-(4-chloro-6-(quinolin-6-yloxy)pyrimidin-2-ylthio...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C21H22ClN3O3S/c1-2-3-4-5-8-17(20(26)27)29-21-24-18(22)13-19(25-21)28-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,26,27)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM24561
PNG
(CHEMBL459722 | Pirinixic acid-based compound, 6d |...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C23H27ClN4O2S/c1-3-5-6-7-10-19(22(29)30-4-2)31-23-27-20(24)15-21(28-23)26-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3,(H,26,27,28)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM24564
PNG
(2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50253803
PNG
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C(O)=O)c3ccccc3)n2)c1C
Show InChI InChI=1S/C20H18ClN3O2S/c1-12-7-6-10-15(13(12)2)22-17-11-16(21)23-20(24-17)27-18(19(25)26)14-8-4-3-5-9-14/h3-11,18H,1-2H3,(H,25,26)(H,22,23,24)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273385
PNG
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C22H30ClN3O2S/c1-4-5-6-7-8-9-13-18(21(27)28)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(2)16(17)3/h10-12,14,18H,4-9,13H2,1-3H3,(H,27,28)(H,24,25,26)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50253879
PNG
(CHEMBL459720 | ethyl 2-(4-chloro-6-(2,3-dimethylph...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)OCC
Show InChI InChI=1S/C22H30ClN3O2S/c1-5-7-8-9-13-18(21(27)28-6-2)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(3)16(17)4/h10-12,14,18H,5-9,13H2,1-4H3,(H,24,25,26)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM24560
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50273681
PNG
(2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C18H22ClN3O2S/c1-4-5-9-14(17(23)24)25-18-21-15(19)10-16(22-18)20-13-8-6-7-11(2)12(13)3/h6-8,10,14H,4-5,9H2,1-3H3,(H,23,24)(H,20,21,22)
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Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 8068-76 (2008)


Article DOI: 10.1021/jm801085s
BindingDB Entry DOI: 10.7270/Q2639QN4
More data for this
Ligand-Target Pair
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