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Compile Data Set for Download or QSAR

Found 3457 hits of ic50 for UniProtKB: P23219   
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 1


(Homo sapiens (Human))		BDBM50601852
PNG
(CHEMBL5206077)
Show SMILES COc1ccc(cc1)-n1nc(OCC(F)(F)F)nc1-c1ccc(O[11CH3])cc1
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01571
BindingDB Entry DOI: 10.7270/Q25H7MBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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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n/an/a 1n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50362901
PNG
(CHEMBL1945285)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](CF)C(O)=O |r|
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)


Article DOI: 10.1016/j.bmcl.2011.04.114
BindingDB Entry DOI: 10.7270/Q2DN45H6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


Article DOI: 10.1021/jm701191z
BindingDB Entry DOI: 10.7270/Q2Z0391M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 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


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 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)


BindingDB Entry DOI: 10.7270/Q2PG1QZ8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 |r,c:10|
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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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1

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


Article DOI: 10.1016/j.bmcl.2010.07.054
BindingDB Entry DOI: 10.7270/Q23X86W1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 2n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm030765s
BindingDB Entry DOI: 10.7270/Q2HQ3Z98
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


BindingDB Entry DOI: 10.7270/Q2ZC8256
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


Article DOI: 10.1021/jm201706b
BindingDB Entry DOI: 10.7270/Q2RJ4KGS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 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)


BindingDB Entry DOI: 10.7270/Q29W0DSN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


BindingDB Entry DOI: 10.7270/Q29G5M4C
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50174201
PNG
(ARTHROTEC | GP 45840 | SOLARAZE | Sodium; [2-(2,6-...)
Show SMILES [O-]C(=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)/p-1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX-1 (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-010-9312-7
BindingDB Entry DOI: 10.7270/Q2Z03C1F
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50601853
PNG
(CHEMBL5184826)
Show SMILES [2H]C([2H])([18F])Oc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01571
BindingDB Entry DOI: 10.7270/Q25H7MBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


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


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01571
BindingDB Entry DOI: 10.7270/Q25H7MBX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 |t:9|
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)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50400902
PNG
(1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine...)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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n/an/a 5.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans

J Med Chem 53: 4050-65 (2010)


Article DOI: 10.1021/jm100055b
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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)


Article DOI: 10.1021/jm0613166
BindingDB Entry DOI: 10.7270/Q2P26XTQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 |w:7.6,c:14|
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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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)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50207446
PNG
(2-(2-(2-chloro-6-fluorophenylamino)-5-methylphenyl...)
Show SMILES Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
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n/an/a 7n/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)


Article DOI: 10.1021/jm201706b
BindingDB Entry DOI: 10.7270/Q2RJ4KGS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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



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)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50285514
PNG
(4-[3-(4-Fluoro-phenyl)-1H-inden-2-yl]-benzenesulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(c2ccccc2C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C21H16FNO2S/c22-17-9-5-15(6-10-17)21-19-4-2-1-3-16(19)13-20(21)14-7-11-18(12-8-14)26(23,24)25/h1-12H,13H2,(H2,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant cyclooxygenase-1 enzyme

Bioorg Med Chem Lett 5: 2377-2380 (1995)


Article DOI: 10.1016/0960-894X(95)00414-O
BindingDB Entry DOI: 10.7270/Q2X06705
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidoni...

Bioorg Med Chem Lett 8: 2777-82 (1999)


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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 7.80n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of COX1

Eur J Med Chem 46: 191-200 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.035
BindingDB Entry DOI: 10.7270/Q2XD11ZG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 7.90n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX1 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay

Eur J Med Chem 141: 404-416 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.066
BindingDB Entry DOI: 10.7270/Q2NS0XFF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00065
BindingDB Entry DOI: 10.7270/Q2988BP9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50520683
PNG
(CHEMBL4476621)
Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)
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n/an/a 8n/an/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1 using arachidonic acid as substrate after 3 mins by fluorimetric analysis

Eur J Med Chem 159: 324-338 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.067
BindingDB Entry DOI: 10.7270/Q2VM4GND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 8.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value against Prostaglandin G/H synthase 1 of human platelet rich plasma

J Med Chem 42: 1161-9 (1999)


Article DOI: 10.1021/jm980570y
BindingDB Entry DOI: 10.7270/Q2154G6N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 8.20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma

J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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 8.90n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay

Bioorg Med Chem 21: 2355-62 (2013)


Article DOI: 10.1016/j.bmc.2013.01.058
BindingDB Entry DOI: 10.7270/Q2VT1TFS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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 9n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of COX1

J Med Chem 55: 2287-300 (2012)


Article DOI: 10.1021/jm201528b
BindingDB Entry DOI: 10.7270/Q2WW7JQB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 10n/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)


Article DOI: 10.1021/jm0613166
BindingDB Entry DOI: 10.7270/Q2P26XTQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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 10n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of COX1 by microplate reader

J Nat Prod 73: 1234-9 (2010)


Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX1

ACS Med Chem Lett 2: 353-357 (2011)


Article DOI: 10.1021/ml100292y
BindingDB Entry DOI: 10.7270/Q2XK8G0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50076883
PNG
(4-[2-Benzylamino-4-(3-fluoro-4-methoxy-phenyl)-thi...)
Show SMILES COc1ccc(cc1F)-c1nc(NCc2ccccc2)sc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C23H20FN3O3S2/c1-30-20-12-9-17(13-19(20)24)21-22(16-7-10-18(11-8-16)32(25,28)29)31-23(27-21)26-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,26,27)(H2,25,28,29)
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n/an/a 10n/an/an/an/an/an/a



G.D. Searle-Monsanto

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 1

Bioorg Med Chem Lett 9: 1171-4 (1999)


BindingDB Entry DOI: 10.7270/Q2D21WTX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50110484
PNG
(3-((3-fluoro-5-(1-methoxycyclohexyl)phenoxy)methyl...)
Show SMILES COC1(CCOCC1)c1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H29FN2O5S/c1-35-29(12-14-36-15-13-29)22-16-23(30)18-26(17-22)37-20-24-19-28(21-6-4-3-5-7-21)32(31-24)25-8-10-27(11-9-25)38(2,33)34/h3-11,16-19H,12-15,20H2,1-2H3
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n/an/a>10n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase 1

J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 10n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX1

J Nat Prod 68: 985-91 (2005)


Article DOI: 10.1021/np049655u
BindingDB Entry DOI: 10.7270/Q27S7PN5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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



TBA

Curated by ChEMBL


Assay Description
Inhibition of COX1

ACS Med Chem Lett 2: 353-357 (2011)


Article DOI: 10.1021/ml100292y
BindingDB Entry DOI: 10.7270/Q2XK8G0P
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50609860
PNG
(CHEMBL5273339)
Show SMILES [Na;v0+].[Na;v0+].[#6]-[#8]-c1cc(ccc1-[#8-])-[#6](=O)-[#7-]S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(-[#6])cc1)C(F)(F)F
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 12n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human COX1-mediated conversion of arachidonic acid to prostaglandin-E2

J Med Chem 51: 260-70 (2008)


Article DOI: 10.1021/jm0708735
BindingDB Entry DOI: 10.7270/Q2ZG6S1C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 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 12n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 1

J Med Chem 51: 6348-58 (2008)


Article DOI: 10.1021/jm800435s
BindingDB Entry DOI: 10.7270/Q29S1QW2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 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 12n/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)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against recombinant human Prostaglandin G/H synthase 1

J Med Chem 40: 819-24 (1997)


Article DOI: 10.1021/jm9606150
BindingDB Entry DOI: 10.7270/Q2DF6Q9T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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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Warner-Lambert Company

Curated by ChEMBL


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

J Med Chem 42: 1161-9 (1999)


Article DOI: 10.1021/jm980570y
BindingDB Entry DOI: 10.7270/Q2154G6N
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of COX1 assessed as inhibition of arachidonic acid conversion to prostaglandin-E2 release

J Med Chem 52: 1115-25 (2009)


Article DOI: 10.1021/jm801347s
BindingDB Entry DOI: 10.7270/Q2K64J3F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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