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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'guan' and Initial = 'lp'   
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


(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 100n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50542436
PNG
(CHEMBL4644802)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+
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China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
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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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522764
PNG
(CHEMBL4437518)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:14|
Show InChI InChI=1S/C22H15NO4/c24-21(17-6-9-18(10-7-17)23(25)26)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)27-14-15/h1-13H,14H2/b11-5+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
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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TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50560301
PNG
(CHEMBL4750050)
Show SMILES Fc1cccc(COc2nc3ccccc3s2)c1
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TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522768
PNG
(CHEMBL4574215)
Show SMILES Clc1ccc(C(=O)\C=C\C2=Cc3c(OC2)ccc2ccccc32)c(Cl)c1 |t:9|
Show InChI InChI=1S/C22H14Cl2O2/c23-16-7-8-18(20(24)12-16)21(25)9-5-14-11-19-17-4-2-1-3-15(17)6-10-22(19)26-13-14/h1-12H,13H2/b9-5+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50542435
PNG
(CHEMBL4642218)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+
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China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522773
PNG
(CHEMBL4591257)
Show SMILES Fc1ccccc1C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:12|
Show InChI InChI=1S/C22H15FO2/c23-20-8-4-3-7-18(20)21(24)11-9-15-13-19-17-6-2-1-5-16(17)10-12-22(19)25-14-15/h1-13H,14H2/b11-9+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50542437
PNG
(CHEMBL4641093)
Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+
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China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522769
PNG
(CHEMBL4583354)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:15|
Show InChI InChI=1S/C23H15F3O2/c24-23(25,26)18-9-6-17(7-10-18)21(27)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)28-14-15/h1-13H,14H2/b11-5+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50560306
PNG
(CHEMBL4793035)
Show SMILES Brc1ccc(OCCOc2nc3ccccc3s2)c(Br)c1
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TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50560302
PNG
(CHEMBL4744314)
Show SMILES Fc1ccc(COc2nc3ccccc3s2)cc1
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TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522770
PNG
(CHEMBL4450248)
Show SMILES Fc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:12|
Show InChI InChI=1S/C18H13FO2/c19-16-8-6-14(7-9-16)17(20)10-5-13-11-15-3-1-2-4-18(15)21-12-13/h1-11H,12H2/b10-5+
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n/an/a 370n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522772
PNG
(CHEMBL4567855)
Show SMILES COc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:13|
Show InChI InChI=1S/C23H18O3/c1-25-19-10-7-18(8-11-19)22(24)12-6-16-14-21-20-5-3-2-4-17(20)9-13-23(21)26-15-16/h2-14H,15H2,1H3/b12-6+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522767
PNG
(CHEMBL4584799)
Show SMILES CCc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:13|
Show InChI InChI=1S/C20H18O2/c1-2-15-7-10-17(11-8-15)19(21)12-9-16-13-18-5-3-4-6-20(18)22-14-16/h3-13H,2,14H2,1H3/b12-9+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50560305
PNG
(CHEMBL4757345)
Show SMILES Clc1ccc(OCCOc2nc3ccccc3s2)c(Cl)c1
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TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522765
PNG
(CHEMBL4448997)
Show SMILES Brc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:12|
Show InChI InChI=1S/C18H13BrO2/c19-16-8-6-14(7-9-16)17(20)10-5-13-11-15-3-1-2-4-18(15)21-12-13/h1-11H,12H2/b10-5+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522763
PNG
(CHEMBL4570476)
Show SMILES CCc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:13|
Show InChI InChI=1S/C24H20O2/c1-2-17-7-10-20(11-8-17)23(25)13-9-18-15-22-21-6-4-3-5-19(21)12-14-24(22)26-16-18/h3-15H,2,16H2,1H3/b13-9+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522774
PNG
(CHEMBL4533060)
Show SMILES COc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:13|
Show InChI InChI=1S/C19H16O3/c1-21-17-9-7-15(8-10-17)18(20)11-6-14-12-16-4-2-3-5-19(16)22-13-14/h2-12H,13H2,1H3/b11-6+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522771
PNG
(CHEMBL4562121)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:15|
Show InChI InChI=1S/C20H18O4/c1-22-19-10-8-15(12-20(19)23-2)17(21)9-7-14-11-16-5-3-4-6-18(16)24-13-14/h3-12H,13H2,1-2H3/b9-7+
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Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50254170
PNG
(CHEMBL4095678)
Show SMILES O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com.

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 27: 3378-3381 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.002
BindingDB Entry DOI: 10.7270/Q2NK3HG0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50560304
PNG
(CHEMBL4800449)
Show SMILES Brc1ccc(OCCOc2nc3ccccc3s2)cc1
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(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 660n/an/an/an/an/an/a



Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com.

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 27: 3378-3381 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.002
BindingDB Entry DOI: 10.7270/Q2NK3HG0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50560303
PNG
(CHEMBL4758065)
Show SMILES Clc1ccc(COc2nc3ccccc3s2)cc1
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n/an/a 770n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50522766
PNG
(CHEMBL4440945)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:15|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)16-8-6-14(7-9-16)17(23)10-5-13-11-15-3-1-2-4-18(15)24-12-13/h1-11H,12H2/b10-5+
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n/an/a 830n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50254169
PNG
(CHEMBL4063827)
Show SMILES Brc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H19BrN2O/c23-18-10-6-11-19(15-18)24-22(26)25-14-13-16-7-4-5-12-20(16)21(25)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com.

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 27: 3378-3381 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.002
BindingDB Entry DOI: 10.7270/Q2NK3HG0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50560305
PNG
(CHEMBL4757345)
Show SMILES Clc1ccc(OCCOc2nc3ccccc3s2)c(Cl)c1
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n/an/a 4.28E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50560306
PNG
(CHEMBL4793035)
Show SMILES Brc1ccc(OCCOc2nc3ccccc3s2)c(Br)c1
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n/an/a 5.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50560301
PNG
(CHEMBL4750050)
Show SMILES Fc1cccc(COc2nc3ccccc3s2)c1
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n/an/a 5.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50560304
PNG
(CHEMBL4800449)
Show SMILES Brc1ccc(OCCOc2nc3ccccc3s2)cc1
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n/an/a 5.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 5.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50254170
PNG
(CHEMBL4095678)
Show SMILES O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1
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n/an/a 5.42E+3n/an/an/an/an/an/a



Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com.

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 27: 3378-3381 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.002
BindingDB Entry DOI: 10.7270/Q2NK3HG0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50560303
PNG
(CHEMBL4758065)
Show SMILES Clc1ccc(COc2nc3ccccc3s2)cc1
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n/an/a 5.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 6.13E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50560302
PNG
(CHEMBL4744314)
Show SMILES Fc1ccc(COc2nc3ccccc3s2)cc1
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n/an/a 6.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127376
BindingDB Entry DOI: 10.7270/Q2FX7F57
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522767
PNG
(CHEMBL4584799)
Show SMILES CCc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:13|
Show InChI InChI=1S/C20H18O2/c1-2-15-7-10-17(11-8-15)19(21)12-9-16-13-18-5-3-4-6-20(18)22-14-16/h3-13H,2,14H2,1H3/b12-9+
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n/an/a 6.22E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522773
PNG
(CHEMBL4591257)
Show SMILES Fc1ccccc1C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:12|
Show InChI InChI=1S/C22H15FO2/c23-20-8-4-3-7-18(20)21(24)11-9-15-13-19-17-6-2-1-5-16(17)10-12-22(19)25-14-15/h1-13H,14H2/b11-9+
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n/an/a 6.41E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
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 6.41E+3n/an/an/an/an/an/a



Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com.

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 27: 3378-3381 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.002
BindingDB Entry DOI: 10.7270/Q2NK3HG0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522771
PNG
(CHEMBL4562121)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:15|
Show InChI InChI=1S/C20H18O4/c1-22-19-10-8-15(12-20(19)23-2)17(21)9-7-14-11-16-5-3-4-6-18(16)24-13-14/h3-12H,13H2,1-2H3/b9-7+
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n/an/a 7.08E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522765
PNG
(CHEMBL4448997)
Show SMILES Brc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:12|
Show InChI InChI=1S/C18H13BrO2/c19-16-8-6-14(7-9-16)17(20)10-5-13-11-15-3-1-2-4-18(15)21-12-13/h1-11H,12H2/b10-5+
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n/an/a 7.21E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522766
PNG
(CHEMBL4440945)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:15|
Show InChI InChI=1S/C19H13F3O2/c20-19(21,22)16-8-6-14(7-9-16)17(23)10-5-13-11-15-3-1-2-4-18(15)24-12-13/h1-11H,12H2/b10-5+
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n/an/a 7.75E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522764
PNG
(CHEMBL4437518)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:14|
Show InChI InChI=1S/C22H15NO4/c24-21(17-6-9-18(10-7-17)23(25)26)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)27-14-15/h1-13H,14H2/b11-5+
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n/an/a 7.77E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50254169
PNG
(CHEMBL4063827)
Show SMILES Brc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H19BrN2O/c23-18-10-6-11-19(15-18)24-22(26)25-14-13-16-7-4-5-12-20(16)21(25)17-8-2-1-3-9-17/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1
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n/an/a 7.85E+3n/an/an/an/an/an/a



Food and Pharmacy College, Zhejiang Ocean University Engineering Technology Research Center of Marine Biomedical Products, Zhejiang, Zhoushan 316022, PR China. Electronic address: glp730@163.com.

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 27: 3378-3381 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.002
BindingDB Entry DOI: 10.7270/Q2NK3HG0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522768
PNG
(CHEMBL4574215)
Show SMILES Clc1ccc(C(=O)\C=C\C2=Cc3c(OC2)ccc2ccccc32)c(Cl)c1 |t:9|
Show InChI InChI=1S/C22H14Cl2O2/c23-16-7-8-18(20(24)12-16)21(25)9-5-14-11-19-17-4-2-1-3-15(17)6-10-22(19)26-13-14/h1-12H,13H2/b9-5+
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n/an/a 7.92E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522770
PNG
(CHEMBL4450248)
Show SMILES Fc1ccc(cc1)C(=O)\C=C\C1=Cc2ccccc2OC1 |t:12|
Show InChI InChI=1S/C18H13FO2/c19-16-8-6-14(7-9-16)17(20)10-5-13-11-15-3-1-2-4-18(15)21-12-13/h1-11H,12H2/b10-5+
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n/an/a 8.32E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522769
PNG
(CHEMBL4583354)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:15|
Show InChI InChI=1S/C23H15F3O2/c24-23(25,26)18-9-6-17(7-10-18)21(27)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)28-14-15/h1-13H,14H2/b11-5+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.63E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522763
PNG
(CHEMBL4570476)
Show SMILES CCc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:13|
Show InChI InChI=1S/C24H20O2/c1-2-17-7-10-20(11-8-17)23(25)13-9-18-15-22-21-6-4-3-5-19(21)12-14-24(22)26-16-18/h3-15H,2,16H2,1H3/b13-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.89E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50522772
PNG
(CHEMBL4567855)
Show SMILES COc1ccc(cc1)C(=O)\C=C\C1=Cc2c(OC1)ccc1ccccc21 |t:13|
Show InChI InChI=1S/C23H18O3/c1-25-19-10-7-18(8-11-19)22(24)12-6-16-14-21-20-5-3-2-4-17(20)9-13-23(21)26-15-16/h2-14H,15H2,1H3/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.04E+3n/an/an/an/an/an/a



Zhejiang Ocean University

Curated by ChEMBL


Assay Description
Inhibition of COX1 (unknown origin)


Bioorg Med Chem Lett 29: 1909-1912 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.051
BindingDB Entry DOI: 10.7270/Q22F7RVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50542436
PNG
(CHEMBL4644802)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.14E+3n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
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