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Compile Data Set for Download or QSAR

Found 152 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 1/2


(Homo sapiens (Human))
BDBM50229761
PNG
(CHEMBL314337 | L-689037)
Show SMILES CC(C)(C)CC(=O)c1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C36H37ClN2O4/c1-35(2,3)20-32(40)33-28-18-27(43-22-26-15-12-24-8-6-7-9-29(24)38-26)16-17-30(28)39(21-23-10-13-25(37)14-11-23)31(33)19-36(4,5)34(41)42/h6-18H,19-22H2,1-5H3,(H,41,42)
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n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Prostaglandin G/H synthase in human polymorphonuclear leukocytes[PMNS]


J Med Chem 35: 2501-24 (1992)


BindingDB Entry DOI: 10.7270/Q23B60R4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012780
PNG
((3,5-Di-tert-butyl-4-hydroxy-phenyl)-thiophen-2-yl...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C19H24O2S/c1-18(2,3)13-10-12(16(20)15-8-7-9-22-15)11-14(17(13)21)19(4,5)6/h7-11,21H,1-6H3
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n/an/a 5.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(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
In vitro inhibitory activity against cyclooxygenase of human platelets was determined


J Med Chem 30: 726-9 (1987)


BindingDB Entry DOI: 10.7270/Q2Q81G93
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279050
PNG
(CHEMBL4169347)
Show SMILES CS(=O)(=O)c1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCCC(=O)c3c2c1
Show InChI InChI=1S/C20H16ClNO4S/c1-27(25,26)14-9-10-16-15(11-14)19-17(3-2-4-18(19)23)22(16)20(24)12-5-7-13(21)8-6-12/h5-11H,2-4H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279037
PNG
(CHEMBL4173526)
Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCCc3c2c1
Show InChI InChI=1S/C20H20ClNO2S/c1-25(23,24)16-10-11-20-18(12-16)17-4-2-3-5-19(17)22(20)13-14-6-8-15(21)9-7-14/h6-12H,2-5,13H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Inhibition of human kidney microsomal COX assessed as PGE2 level using arachidonic acid as substrate preincubated for 5 to 15 mins followed by substr...


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279039
PNG
(CHEMBL4177185)
Show SMILES CS(=O)(=O)c1ccc2n(c3CCCCc3c2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18ClNO4S2/c1-26(22,23)15-10-11-19-17(12-15)16-4-2-3-5-18(16)21(19)27(24,25)14-8-6-13(20)7-9-14/h6-12H,2-5H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50076659
PNG
(CHEMBL435907 | N-{3-[5-(4-Chloro-phenyl)-1-(4-meth...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(C)=O
Show InChI InChI=1S/C22H20ClN3O3/c1-15(26(28)16(2)27)4-9-19-14-22(17-5-7-18(23)8-6-17)25(24-19)20-10-12-21(29-3)13-11-20/h5-8,10-15,28H,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


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 1/2


(Homo sapiens (Human))
BDBM50279036
PNG
(CHEMBL4162061)
Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCC(=O)c3c2c1
Show InChI InChI=1S/C20H18ClNO3S/c1-26(24,25)15-9-10-17-16(11-15)20-18(3-2-4-19(20)23)22(17)12-13-5-7-14(21)8-6-13/h5-11H,2-4,12H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012811
PNG
(2,6-Di-tert-butyl-4-(2-thiophen-2-yl-vinyl)-phenol...)
Show SMILES CC(C)(C)c1cc(\C=C\c2cccs2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C20H26OS/c1-19(2,3)16-12-14(9-10-15-8-7-11-22-15)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3/b10-9+
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279034
PNG
(CHEMBL4172740)
Show SMILES CS(=O)(=O)c1ccc2n(c3CCCC(=O)c3c2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO5S2/c1-27(23,24)14-9-10-16-15(11-14)19-17(3-2-4-18(19)22)21(16)28(25,26)13-7-5-12(20)6-8-13/h5-11H,2-4H2,1H3
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Damanhour University

Curated by ChEMBL


Assay Description
Inhibition of human kidney microsomal COX assessed as PGE2 level using arachidonic acid as substrate preincubated for 5 to 15 mins followed by substr...


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279035
PNG
(CHEMBL4165597)
Show SMILES CS(=O)(=O)c1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCCCc3c2c1
Show InChI InChI=1S/C20H18ClNO3S/c1-26(24,25)15-10-11-19-17(12-15)16-4-2-3-5-18(16)22(19)20(23)13-6-8-14(21)9-7-13/h6-12H,2-5H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279023
PNG
(CHEMBL4176892)
Show SMILES COc1ccc2n(c3CC(C)(C)CC(=O)c3c2c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO4S/c1-21(2)11-18-20(19(24)12-21)16-10-14(27-3)6-9-17(16)23(18)28(25,26)15-7-4-13(22)5-8-15/h4-10H,11-12H2,1-3H3
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n/an/a 41n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Inhibition of human kidney microsomal COX assessed as PGE2 level using arachidonic acid as substrate preincubated for 5 to 15 mins followed by substr...


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279038
PNG
(CHEMBL4169030)
Show SMILES COc1ccc2n(Cc3ccc(Cl)cc3)c3CC(C)(C)CC(=O)c3c2c1
Show InChI InChI=1S/C22H22ClNO2/c1-22(2)11-19-21(20(25)12-22)17-10-16(26-3)8-9-18(17)24(19)13-14-4-6-15(23)7-5-14/h4-10H,11-13H2,1-3H3
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n/an/a 44n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Inhibition concentration against human adenosine kinase


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50279040
PNG
(CHEMBL4161755)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CC(C)(C)CC(=O)c3c2c1
Show InChI InChI=1S/C22H20ClNO3/c1-22(2)11-18-20(19(25)12-22)16-10-15(27-3)8-9-17(16)24(18)21(26)13-4-6-14(23)7-5-13/h4-10H,11-12H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 89n/an/an/an/an/an/a



Damanhour University

Curated by ChEMBL


Assay Description
Inhibition of human kidney microsomal COX assessed as PGE2 level using arachidonic acid as substrate preincubated for 5 to 15 mins followed by substr...


Eur J Med Chem 141: 306-321 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.056
BindingDB Entry DOI: 10.7270/Q2Q242R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50471018
PNG
(CHEMBL47644)
Show SMILES OC(=O)CCCCCCCN1C(=O)C=CC1=O |c:13|
Show InChI InChI=1S/C12H17NO4/c14-10-7-8-11(15)13(10)9-5-3-1-2-4-6-12(16)17/h7-8H,1-6,9H2,(H,16,17)
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase


J Med Chem 39: 1692-703 (1996)


Article DOI: 10.1021/jm950872p
BindingDB Entry DOI: 10.7270/Q2DN47SM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000399
PNG
(CHEMBL292136)
Show SMILES Cc1cc(CCc2cccs2)cc(C)c1O
Show InChI InChI=1S/C14H16OS/c1-10-8-12(9-11(2)14(10)15)5-6-13-4-3-7-16-13/h3-4,7-9,15H,5-6H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50008950
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-dihydr...)
Show SMILES CC(C)(C)c1cc(\C=C2/CCOC2=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3/b13-9+
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n/an/a 110n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000360
PNG
(CHEMBL55680)
Show SMILES CCCOc1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
Show InChI InChI=1S/C19H22O2/c1-4-11-21-18-9-7-16(8-10-18)5-6-17-12-14(2)19(20)15(3)13-17/h5-10,12-13,20H,4,11H2,1-3H3/b6-5+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000390
PNG
(CHEMBL58990)
Show SMILES Cc1cc(\C=C\c2cccs2)cc(Cl)c1O
Show InChI InChI=1S/C13H11ClOS/c1-9-7-10(8-12(14)13(9)15)4-5-11-3-2-6-16-11/h2-8,15H,1H3/b5-4+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012789
PNG
(2,6-Di-tert-butyl-4-(2-pyridin-3-yl-vinyl)-phenol ...)
Show SMILES CC(C)(C)c1cc(\C=C\c2cccnc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C21H27NO/c1-20(2,3)17-12-16(10-9-15-8-7-11-22-14-15)13-18(19(17)23)21(4,5)6/h7-14,23H,1-6H3/b10-9+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012794
PNG
(4-[2-(4-Fluoro-phenyl)-ethyl]-2,6-dimethyl-phenol ...)
Show SMILES Cc1cc(CCc2ccc(F)cc2)cc(C)c1O
Show InChI InChI=1S/C16H17FO/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(17)8-6-13/h5-10,18H,3-4H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50044080
PNG
(2-Amino-5-[1-(3,5-di-tert-butyl-4-hydroxy-phenyl)-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(N)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:11|
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)
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n/an/a 390n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


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 1/2


(Homo sapiens (Human))
BDBM50000370
PNG
(CHEMBL55448)
Show SMILES Cc1cc(\C=C\c2csc3ccccc23)cc(C)c1O
Show InChI InChI=1S/C18H16OS/c1-12-9-14(10-13(2)18(12)19)7-8-15-11-20-17-6-4-3-5-16(15)17/h3-11,19H,1-2H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012780
PNG
((3,5-Di-tert-butyl-4-hydroxy-phenyl)-thiophen-2-yl...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C19H24O2S/c1-18(2,3)13-10-12(16(20)15-8-7-9-22-15)11-14(17(13)21)19(4,5)6/h7-11,21H,1-6H3
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Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against prostaglandin G/H synthase


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 1/2


(Homo sapiens (Human))
BDBM50012802
PNG
(4-[2-(4-Ethyl-phenyl)-vinyl]-2,6-dimethyl-phenol |...)
Show SMILES CCc1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
Show InChI InChI=1S/C18H20O/c1-4-15-5-7-16(8-6-15)9-10-17-11-13(2)18(19)14(3)12-17/h5-12,19H,4H2,1-3H3/b10-9+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000396
PNG
(CHEMBL55737)
Show SMILES Cc1cc(\C=C\c2cccc3ccccc23)cc(C)c1O
Show InChI InChI=1S/C20H18O/c1-14-12-16(13-15(2)20(14)21)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-13,21H,1-2H3/b11-10+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012809
PNG
(2,6-Di-tert-butyl-4-[2-(4-fluoro-phenyl)-vinyl]-ph...)
Show SMILES CC(C)(C)c1cc(\C=C\c2ccc(F)cc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C22H27FO/c1-21(2,3)18-13-16(14-19(20(18)24)22(4,5)6)8-7-15-9-11-17(23)12-10-15/h7-14,24H,1-6H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012770
PNG
(4-[2-(4-Fluoro-phenyl)-propenyl]-2,6-dimethyl-phen...)
Show SMILES C\C(=C/c1cc(C)c(O)c(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FO/c1-11(15-4-6-16(18)7-5-15)8-14-9-12(2)17(19)13(3)10-14/h4-10,19H,1-3H3/b11-8+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012789
PNG
(2,6-Di-tert-butyl-4-(2-pyridin-3-yl-vinyl)-phenol ...)
Show SMILES CC(C)(C)c1cc(\C=C\c2cccnc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C21H27NO/c1-20(2,3)17-12-16(10-9-15-8-7-11-22-14-15)13-18(19(17)23)21(4,5)6/h7-14,23H,1-6H3/b10-9+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration required for inhibition of Prostaglandin G/H synthase


J Med Chem 32: 100-4 (1989)


BindingDB Entry DOI: 10.7270/Q2CN764H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000397
PNG
(CHEMBL58987)
Show SMILES Cc1cc(\C=C\c2ccc(F)cc2F)cc(C)c1O
Show InChI InChI=1S/C16H14F2O/c1-10-7-12(8-11(2)16(10)19)3-4-13-5-6-14(17)9-15(13)18/h3-9,19H,1-2H3/b4-3+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012783
PNG
(2-Allyl-6-methyl-4-(2-thiophen-2-yl-vinyl)-phenol ...)
Show SMILES Cc1cc(\C=C\c2cccs2)cc(CC=C)c1O
Show InChI InChI=1S/C16H16OS/c1-3-5-14-11-13(10-12(2)16(14)17)7-8-15-6-4-9-18-15/h3-4,6-11,17H,1,5H2,2H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012786
PNG
(4-[2-(4-Chloro-phenyl)-vinyl]-2,6-dimethyl-phenol ...)
Show SMILES Cc1cc(\C=C\c2ccc(Cl)cc2)cc(C)c1O
Show InChI InChI=1S/C16H15ClO/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(17)8-6-13/h3-10,18H,1-2H3/b4-3+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000386
PNG
(CHEMBL440480)
Show SMILES Cc1ccc(\C=C\c2cc(C)c(O)c(C)c2)s1
Show InChI InChI=1S/C15H16OS/c1-10-8-13(9-11(2)15(10)16)5-7-14-6-4-12(3)17-14/h4-9,16H,1-3H3/b7-5+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012778
PNG
(2,6-Dimethyl-4-(2-thiophen-2-yl-vinyl)-phenol | CH...)
Show SMILES Cc1cc(\C=C\c2cccs2)cc(C)c1O
Show InChI InChI=1S/C14H14OS/c1-10-8-12(9-11(2)14(10)15)5-6-13-4-3-7-16-13/h3-9,15H,1-2H3/b6-5+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000371
PNG
(CHEMBL301304)
Show SMILES CCCC\C(=C/c1cc(C)c(O)c(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C20H23FO/c1-4-5-6-18(17-7-9-19(21)10-8-17)13-16-11-14(2)20(22)15(3)12-16/h7-13,22H,4-6H2,1-3H3/b18-13+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000364
PNG
(CHEMBL56460)
Show SMILES Cc1cc(\C=C\c2ccccc2Br)cc(C)c1O
Show InChI InChI=1S/C16H15BrO/c1-11-9-13(10-12(2)16(11)18)7-8-14-5-3-4-6-15(14)17/h3-10,18H,1-2H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000395
PNG
(CHEMBL57016)
Show SMILES Cc1cc(\C=C\c2cccs2)cc(F)c1O
Show InChI InChI=1S/C13H11FOS/c1-9-7-10(8-12(14)13(9)15)4-5-11-3-2-6-16-11/h2-8,15H,1H3/b5-4+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000381
PNG
(CHEMBL293150)
Show SMILES Cc1cc(\C=C\c2c(F)cccc2F)cc(C)c1O
Show InChI InChI=1S/C16H14F2O/c1-10-8-12(9-11(2)16(10)19)6-7-13-14(17)4-3-5-15(13)18/h3-9,19H,1-2H3/b7-6+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012796
PNG
((4-Hydroxy-3,5-dimethyl-phenyl)-thiophen-2-yl-meth...)
Show SMILES Cc1cc(cc(C)c1O)C(=O)c1cccs1
Show InChI InChI=1S/C13H12O2S/c1-8-6-10(7-9(2)12(8)14)13(15)11-4-3-5-16-11/h3-7,14H,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000392
PNG
(CHEMBL56422)
Show SMILES Cc1cc(\C=C\c2cc(F)cc(F)c2)cc(C)c1O
Show InChI InChI=1S/C16H14F2O/c1-10-5-12(6-11(2)16(10)19)3-4-13-7-14(17)9-15(18)8-13/h3-9,19H,1-2H3/b4-3+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000394
PNG
(CHEMBL8595)
Show SMILES CC(C)c1cc(\C=C\c2cccs2)cc(C(C)C)c1O
Show InChI InChI=1S/C18H22OS/c1-12(2)16-10-14(7-8-15-6-5-9-20-15)11-17(13(3)4)18(16)19/h5-13,19H,1-4H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000393
PNG
(CHEMBL299048)
Show SMILES Cc1cc(\C=C\c2ccccc2C(F)(F)F)cc(C)c1O
Show InChI InChI=1S/C17H15F3O/c1-11-9-13(10-12(2)16(11)21)7-8-14-5-3-4-6-15(14)17(18,19)20/h3-10,21H,1-2H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012785
PNG
(4-[2-(2-Methoxy-phenyl)-vinyl]-2,6-dimethyl-phenol...)
Show SMILES COc1ccccc1\C=C\c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C17H18O2/c1-12-10-14(11-13(2)17(12)18)8-9-15-6-4-5-7-16(15)19-3/h4-11,18H,1-3H3/b9-8+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012779
PNG
(2-Methoxy-6-propyl-4-(2-thiophen-2-yl-vinyl)-pheno...)
Show SMILES CCCc1cc(\C=C\c2cccs2)cc(OC)c1O
Show InChI InChI=1S/C16H18O2S/c1-3-5-13-10-12(11-15(18-2)16(13)17)7-8-14-6-4-9-19-14/h4,6-11,17H,3,5H2,1-2H3/b8-7+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50000354
PNG
(CHEMBL293755)
Show SMILES Cc1cc(\C=C\c2ccc(Cl)s2)cc(C)c1O
Show InChI InChI=1S/C14H13ClOS/c1-9-7-11(8-10(2)14(9)16)3-4-12-5-6-13(15)17-12/h3-8,16H,1-2H3/b4-3+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012806
PNG
(4-[2-(4-Fluoro-phenyl)-vinyl]-2,6-dimethyl-phenol ...)
Show SMILES Cc1cc(\C=C\c2ccc(F)cc2)cc(C)c1O
Show InChI InChI=1S/C16H15FO/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(17)8-6-13/h3-10,18H,1-2H3/b4-3+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012790
PNG
(4-[2-(2,5-Dimethyl-phenyl)-vinyl]-2,6-dimethyl-phe...)
Show SMILES Cc1ccc(C)c(\C=C\c2cc(C)c(O)c(C)c2)c1
Show InChI InChI=1S/C18H20O/c1-12-5-6-13(2)17(9-12)8-7-16-10-14(3)18(19)15(4)11-16/h5-11,19H,1-4H3/b8-7+
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012804
PNG
(4-[2-(4-Isopropyl-phenyl)-vinyl]-2,6-dimethyl-phen...)
Show SMILES CC(C)c1ccc(\C=C\c2cc(C)c(O)c(C)c2)cc1
Show InChI InChI=1S/C19H22O/c1-13(2)18-9-7-16(8-10-18)5-6-17-11-14(3)19(20)15(4)12-17/h5-13,20H,1-4H3/b6-5+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1/2


(Homo sapiens (Human))
BDBM50012773
PNG
(2-Ethyl-6-methoxy-4-(2-thiophen-2-yl-vinyl)-phenol...)
Show SMILES CCc1cc(\C=C\c2cccs2)cc(OC)c1O
Show InChI InChI=1S/C15H16O2S/c1-3-12-9-11(10-14(17-2)15(12)16)6-7-13-5-4-8-18-13/h4-10,16H,3H2,1-2H3/b7-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human platelet Prostaglandin G/H synthase


J Med Chem 33: 1892-8 (1990)


BindingDB Entry DOI: 10.7270/Q2W95857
More data for this
Ligand-Target Pair
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