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Compile Data Set for Download or QSAR

Found 5698 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1'   
Target
(Institution)
LigandTarget
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-1 (COX-1)


(Homo sapiens (Human))
BDBM50075531
PNG
(5-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,3,4]oxad...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(NC#N)o1
Show InChI InChI=1S/C17H22N4O2/c1-16(2,3)11-7-10(8-12(13(11)22)17(4,5)6)14-20-21-15(23-14)19-9-18/h7-8,22H,1-6H3,(H,19,21)
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n/an/a 0n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value against ovine Prostaglandin G/H synthase 1


J Med Chem 42: 1161-9 (1999)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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 0.260n/an/an/an/an/an/a



University of Alexandria

Curated by ChEMBL


Assay Description
Inhibition of human platelet COX1


Eur J Med Chem 43: 456-63 (2008)

More data for this
Ligand-Target Pair
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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247597
PNG
(4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiol-3-one | CH...)
Show SMILES COc1ccc(cc1)-c1ssc(=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H14O3S2/c1-19-13-7-3-11(4-8-13)15-16(21-22-17(15)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)

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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
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 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50293280
PNG
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM85515
PNG
(Ampyrone | CAS_83-07-8 | NSC_2151)
Show SMILES Cc1c(N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in C57BL/6 mouse brain homogenate


Bioorg Med Chem 20: 101-7 (2011)

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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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)

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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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)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 1 in human blood


J Med Chem 43: 4582-93 (2001)

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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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)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50362901
PNG
(CHEMBL1945285)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](CF)C(O)=O
Show InChI InChI=1S/C13H17FO2/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Shanghai Haini Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured af...


Bioorg Med Chem Lett 21: 3578-82 (2011)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50293282
PNG
(CHEMBL504535 | Imrecoxib)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
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



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX1


J Med Chem 51: 2400-11 (2008)

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)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50088570
PNG
((S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3...)
Show SMILES C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Laboratorios Menarini

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human


J Med Chem 43: 2280-4 (2000)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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n/an/a 2n/an/an/an/an/an/a



Laboratorios Menarini S.A.

Curated by ChEMBL


Assay Description
In vitro inhibition of cyclooxygenase-1 via inhibition of TXB2 generation in the presence of 1 uM arachidonic acid in human platelet


Bioorg Med Chem Lett 12: 533-7 (2002)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50332752
PNG
((2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoro...)
Show SMILES CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 20: 7159-63 (2010)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50029618
PNG
(4-(2-(4-methoxyphenyl)cyclopent-1-enyl)benzenesulf...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19NO3S/c1-22-15-9-5-13(6-10-15)17-3-2-4-18(17)14-7-11-16(12-8-14)23(19,20)21/h5-12H,2-4H2,1H3,(H2,19,20,21)
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Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 16: 7662-70 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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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Domp&egrove; pha.r.ma s.p.a.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prostaglandin G/H synthase 1 (COX-1) in U-937 cells


J Med Chem 46: 3463-75 (2003)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
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 2n/an/an/an/an/an/a



Università "La Sapienza"

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells


J Med Chem 48: 3428-32 (2005)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50293281
PNG
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)
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n/an/a 2.80n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of calcimycin-induced COX1 activity


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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 3n/an/an/an/an/an/a



J. Uriach & Cía. S.A.

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma


J Med Chem 44: 350-61 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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 3n/an/an/an/an/an/a



Laboratorios Menarini S.A.

Curated by ChEMBL


Assay Description
Inhibition of arachidonic acid induced TXB2 generation in isolated human platelets (Prostaglandin G/H synthase 1 cell assay)


J Med Chem 45: 1402-11 (2002)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of COX1


J Med Chem 55: 2932-42 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Bos taurus)
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Bos taurus)
BDBM50247826
PNG
(4,5-bis(4-methoxyphenyl)isothiazole | CHEMBL473946)
Show SMILES COc1ccc(cc1)-c1cnsc1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H15NO2S/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)

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)

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)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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 4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 16: 4440-3 (2006)

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)

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)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
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 4.10n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...


Bioorg Med Chem Lett 22: 5031-4 (2012)

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)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50084631
PNG
(CHEMBL3427203)
Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX1 in human whole blood assessed as reduction in TXB2 levels by radioimmunoassay


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

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057554
PNG
(1,5-Bis-(4-methoxy-phenyl)-3-trifluoromethyl-1H-py...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O2/c1-24-14-7-3-12(4-8-14)16-11-17(18(19,20)21)22-23(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50029613
PNG
(1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem 16: 7662-70 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049025
PNG
(4-[6-(4-Methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-...)
Show SMILES COc1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H21NO3S/c1-24-16-6-2-14(3-7-16)18-12-20(10-11-20)13-19(18)15-4-8-17(9-5-15)25(21,22)23/h2-9H,10-13H2,1H3,(H2,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1).


J Med Chem 39: 253-66 (1996)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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 5n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX1 assessed as TBX2 production in human whole blood


Bioorg Med Chem Lett 16: 4440-3 (2006)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(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 6n/an/an/an/an/an/a



Institute for Chemical Biology and Center in Molecular Toxicology

Curated by ChEMBL


Assay Description
Inhibition of COX1


J Med Chem 50: 1425-41 (2007)

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)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50245432
PNG
(4,5-Bis(4-methoxyphenyl)-1,2-selenazole | CHEMBL47...)
Show SMILES COc1ccc(cc1)-c1cn[se]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H15NO2Se/c1-19-14-7-3-12(4-8-14)16-11-18-21-17(16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Johannes Gutenberg University

Curated by ChEMBL


Assay Description
Inhibition of bovine COX1


Eur J Med Chem 43: 1152-9 (2008)

More data for this
Ligand-Target Pair
COX-1


(RAT)
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 using whole cell assay


Bioorg Med Chem Lett 6: 725-730 (1996)

More data for this
Ligand-Target Pair
COX-1


(RAT)
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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 6: 731-736 (1996)

More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50247901
PNG
(4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiole-3-thi...)
Show SMILES Cc1ccc(cc1)-c1ssc(=S)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClS3/c1-10-2-4-12(5-3-10)15-14(16(18)20-19-15)11-6-8-13(17)9-7-11/h2-9H,1H3
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n/an/a 6n/an/an/an/an/an/a



Johannes Gutenberg-University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC


Bioorg Med Chem 17: 558-68 (2009)

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)

More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50044072
PNG
(CHEMBL16434 | N-[5-(3,5-Di-tert-butyl-4-hydroxy-be...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C19H26N4O2S/c1-18(2,3)11-7-10(8-12(14(11)24)19(4,5)6)9-13-15(25)22-17(26-13)23-16(20)21/h7-9,24H,1-6H3,(H4,20,21,22,23,25)
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antibodypedia
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n/an/a 6.10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1


J Med Chem 42: 1151-60 (1999)

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)

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)

More data for this
Ligand-Target Pair
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