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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50045984   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089653
PNG
(CHEMBL3576974)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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5n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089655
PNG
(CHEMBL3576976)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2ccccc12 |r|
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12n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089651
PNG
(CHEMBL3576979)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r|
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109n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089648
PNG
(CHEMBL3576983)
Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC |r|
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983n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089646
PNG
(CHEMBL3576981)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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1.34E+3n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089644
PNG
(CHEMBL3576986)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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2.90E+3n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089656
PNG
(CHEMBL3576973)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O7S/c1-13-6-8-14(9-7-13)32(30,31)24-12-16(15-4-2-3-5-17(15)24)20(28)21(29)23-10-18(25)22-11-19(26)27/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,29)(H,26,27)
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3.12E+3n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089649
PNG
(CHEMBL3576977)
Show SMILES COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-14-7-9-15(10-8-14)33(30,31)25-13-17(16-5-3-4-6-18(16)25)21(28)22(29)24-11-19(26)23-12-20(27)32-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,29)
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4.66E+3n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089651
PNG
(CHEMBL3576979)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r|
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n/an/a 6.30n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 40n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089644
PNG
(CHEMBL3576986)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 47n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50096276
PNG
(CHEMBL1235806)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C12H6N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H2,13,21,22)
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n/an/a 50n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(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 80n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089653
PNG
(CHEMBL3576974)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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n/an/a 99n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089655
PNG
(CHEMBL3576976)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2ccccc12 |r|
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n/an/a 540n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
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 610n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(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 630n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089656
PNG
(CHEMBL3576973)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O7S/c1-13-6-8-14(9-7-13)32(30,31)24-12-16(15-4-2-3-5-17(15)24)20(28)21(29)23-10-18(25)22-11-19(26)27/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,29)(H,26,27)
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n/an/a 890n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 960n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089642
PNG
(CHEMBL3576984)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(O)=O)c2ccccc12 |r|
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n/an/a 970n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089650
PNG
(CHEMBL3576978)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r|
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n/an/a 1.00E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089651
PNG
(CHEMBL3576979)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r|
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n/an/a 2.21E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089652
PNG
(CHEMBL3576980)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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n/an/a 2.50E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089648
PNG
(CHEMBL3576983)
Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC |r|
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n/an/a 3.63E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089645
PNG
(CHEMBL3576987)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 6.61E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089647
PNG
(CHEMBL3576982)
Show SMILES COC(=O)CC[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC |r|
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n/an/a 8.33E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089646
PNG
(CHEMBL3576981)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 8.89E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
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n/an/a 9.11E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089644
PNG
(CHEMBL3576986)
Show SMILES COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 9.89E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089643
PNG
(CHEMBL3576985)
Show SMILES COC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 1.03E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089649
PNG
(CHEMBL3576977)
Show SMILES COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-14-7-9-15(10-8-14)33(30,31)25-13-17(16-5-3-4-6-18(16)25)21(28)22(29)24-11-19(26)23-12-20(27)32-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,29)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089655
PNG
(CHEMBL3576976)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2ccccc12 |r|
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n/an/a 1.29E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50096276
PNG
(CHEMBL1235806)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C12H6N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H2,13,21,22)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089641
PNG
(CHEMBL3576988)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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n/an/a 1.35E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089647
PNG
(CHEMBL3576982)
Show SMILES COC(=O)CC[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC |r|
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n/an/a 2.02E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50089654
PNG
(CHEMBL3576975)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12 |r|
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n/an/a 2.13E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089653
PNG
(CHEMBL3576974)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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n/an/a 4.35E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50140257
PNG
(5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one | 5...)
Show SMILES COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089645
PNG
(CHEMBL3576987)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 6.55E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089643
PNG
(CHEMBL3576985)
Show SMILES COC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 7.13E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089648
PNG
(CHEMBL3576983)
Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1)C(=O)OC |r|
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n/an/a 7.65E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089641
PNG
(CHEMBL3576988)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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n/an/a 8.72E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50446681
PNG
(CHEMBL3113617)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-11-15(14-4-2-3-5-16(14)21)18(24)19(25)20-10-17(22)23/h2-9,11H,10H2,1H3,(H,20,25)(H,22,23)
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n/an/a 9.01E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089646
PNG
(CHEMBL3576981)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
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n/an/a 9.09E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089652
PNG
(CHEMBL3576980)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r|
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n/an/a 9.83E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089642
PNG
(CHEMBL3576984)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(O)=O)c2ccccc12 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089656
PNG
(CHEMBL3576973)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)NCC(=O)NCC(O)=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O7S/c1-13-6-8-14(9-7-13)32(30,31)24-12-16(15-4-2-3-5-17(15)24)20(28)21(29)23-10-18(25)22-11-19(26)27/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,29)(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089650
PNG
(CHEMBL3576978)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50089649
PNG
(CHEMBL3576977)
Show SMILES COC(=O)CNC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H21N3O7S/c1-14-7-9-15(10-8-14)33(30,31)25-13-17(16-5-3-4-6-18(16)25)21(28)22(29)24-11-19(26)23-12-20(27)32-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)(H,24,29)
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n/an/a 1.04E+5n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...


Eur J Med Chem 97: 104-23 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.044
BindingDB Entry DOI: 10.7270/Q2N87CJN
More data for this
Ligand-Target Pair
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