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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50008273   
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))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


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


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



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072068
PNG
(5-Chloro-6'-cyclopropyl-3-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C20H17ClN2O2S/c1-26(24,25)17-7-4-13(5-8-17)18-10-16(21)12-23-20(18)15-6-9-19(22-11-15)14-2-3-14/h4-12,14H,2-3H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


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


(Homo sapiens (Human))
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 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells incubated in low concentrat...


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072066
PNG
(4-(5-Chloro-6'-methyl-[2,3']bipyridinyl-3-yl)-benz...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14ClN3O2S/c1-11-2-3-13(9-20-11)17-16(8-14(18)10-21-17)12-4-6-15(7-5-12)24(19,22)23/h2-10H,1H3,(H2,19,22,23)
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n/an/a 23n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 26n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072067
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,3']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1cccnc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
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n/an/a 34n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072056
PNG
(5-Chloro-6'-ethyl-3-(4-methanesulfonyl-phenyl)-[2,...)
Show SMILES CCc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17ClN2O2S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072061
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccnc1-c1ccccc1
Show InChI InChI=1S/C18H15NO2S/c1-22(20,21)16-11-9-14(10-12-16)17-8-5-13-19-18(17)15-6-3-2-4-7-15/h2-13H,1H3
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072058
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,2']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccccn1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3
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n/an/a 68n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072064
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 81n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072057
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-5'-methyl-[2...)
Show SMILES Cc1cncc(c1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-7-14(10-20-9-12)18-17(8-15(19)11-21-18)13-3-5-16(6-4-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 87n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072063
PNG
(3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O2S/c1-26(24,25)15-6-4-12(5-7-15)16-9-14(18(19,20)21)11-23-17(16)13-3-2-8-22-10-13/h2-11H,1H3
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n/an/a 90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072059
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,4']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccncc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-4-2-12(3-5-15)16-10-14(18)11-20-17(16)13-6-8-19-9-7-13/h2-11H,1H3
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n/an/a 101n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072060
PNG
(3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3']bipyri...)
Show SMILES Cc1cnc(-c2cccnc2)c(c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16N2O2S/c1-13-10-17(14-5-7-16(8-6-14)23(2,21)22)18(20-11-13)15-4-3-9-19-12-15/h3-12H,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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 500n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072062
PNG
(3-(4-Methanesulfonyl-phenyl)-[2,3']bipyridinyl | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccnc1-c1cccnc1
Show InChI InChI=1S/C17H14N2O2S/c1-22(20,21)15-8-6-13(7-9-15)16-5-3-11-19-17(16)14-4-2-10-18-12-14/h2-12H,1H3
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n/an/a 610n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


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


(Homo sapiens (Human))
BDBM50072066
PNG
(4-(5-Chloro-6'-methyl-[2,3']bipyridinyl-3-yl)-benz...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14ClN3O2S/c1-11-2-3-13(9-20-11)17-16(8-14(18)10-21-17)12-4-6-15(7-5-12)24(19,22)23/h2-10H,1H3,(H2,19,22,23)
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n/an/a 800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072065
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-4'-methyl-[2...)
Show SMILES Cc1ccncc1-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-7-8-20-11-17(12)18-16(9-14(19)10-21-18)13-3-5-15(6-4-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 830n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072067
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,3']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1cccnc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
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n/an/a 900n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072064
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072055
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-2'-methyl-[2...)
Show SMILES Cc1ncccc1-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-16(4-3-9-20-12)18-17(10-14(19)11-21-18)13-5-7-15(8-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072056
PNG
(5-Chloro-6'-ethyl-3-(4-methanesulfonyl-phenyl)-[2,...)
Show SMILES CCc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17ClN2O2S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072063
PNG
(3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O2S/c1-26(24,25)15-6-4-12(5-7-15)16-9-14(18(19,20)21)11-23-17(16)13-3-2-8-22-10-13/h2-11H,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072068
PNG
(5-Chloro-6'-cyclopropyl-3-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C20H17ClN2O2S/c1-26(24,25)17-7-4-13(5-8-17)18-10-16(21)12-23-20(18)15-6-9-19(22-11-15)14-2-3-14/h4-12,14H,2-3H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072060
PNG
(3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3']bipyri...)
Show SMILES Cc1cnc(-c2cccnc2)c(c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16N2O2S/c1-13-10-17(14-5-7-16(8-6-14)23(2,21)22)18(20-11-13)15-4-3-9-19-12-15/h3-12H,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072066
PNG
(4-(5-Chloro-6'-methyl-[2,3']bipyridinyl-3-yl)-benz...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14ClN3O2S/c1-11-2-3-13(9-20-11)17-16(8-14(18)10-21-17)12-4-6-15(7-5-12)24(19,22)23/h2-10H,1H3,(H2,19,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072055
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-2'-methyl-[2...)
Show SMILES Cc1ncccc1-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-16(4-3-9-20-12)18-17(10-14(19)11-21-18)13-5-7-15(8-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072065
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-4'-methyl-[2...)
Show SMILES Cc1ccncc1-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-7-8-20-11-17(12)18-16(9-14(19)10-21-18)13-3-5-15(6-4-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072057
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-5'-methyl-[2...)
Show SMILES Cc1cncc(c1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-7-14(10-20-9-12)18-17(8-15(19)11-21-18)13-3-5-16(6-4-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072058
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,2']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccccn1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


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


(Homo sapiens (Human))
BDBM50072068
PNG
(5-Chloro-6'-cyclopropyl-3-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C20H17ClN2O2S/c1-26(24,25)17-7-4-13(5-8-17)18-10-16(21)12-23-20(18)15-6-9-19(22-11-15)14-2-3-14/h4-12,14H,2-3H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072059
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,4']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccncc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-4-2-12(3-5-15)16-10-14(18)11-20-17(16)13-6-8-19-9-7-13/h2-11H,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072061
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccnc1-c1ccccc1
Show InChI InChI=1S/C18H15NO2S/c1-22(20,21)16-11-9-14(10-12-16)17-8-5-13-19-18(17)15-6-3-2-4-7-15/h2-13H,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


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


(Homo sapiens (Human))
BDBM50072064
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[...)
Show SMILES Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072056
PNG
(5-Chloro-6'-ethyl-3-(4-methanesulfonyl-phenyl)-[2,...)
Show SMILES CCc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H17ClN2O2S/c1-3-16-7-4-14(11-21-16)19-18(10-15(20)12-22-19)13-5-8-17(9-6-13)25(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072067
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,3']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1cccnc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13/h2-11H,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072061
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccnc1-c1ccccc1
Show InChI InChI=1S/C18H15NO2S/c1-22(20,21)16-11-9-14(10-12-16)17-8-5-13-19-18(17)15-6-3-2-4-7-15/h2-13H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072063
PNG
(3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O2S/c1-26(24,25)15-6-4-12(5-7-15)16-9-14(18(19,20)21)11-23-17(16)13-3-2-8-22-10-13/h2-11H,1H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50072062
PNG
(3-(4-Methanesulfonyl-phenyl)-[2,3']bipyridinyl | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccnc1-c1cccnc1
Show InChI InChI=1S/C17H14N2O2S/c1-22(20,21)15-8-6-13(7-9-15)16-5-3-11-19-17(16)14-4-2-10-18-12-14/h2-12H,1H3
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n/an/a>3.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB


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


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


(Homo sapiens (Human))
BDBM50072055
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-2'-methyl-[2...)
Show SMILES Cc1ncccc1-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-16(4-3-9-20-12)18-17(10-14(19)11-21-18)13-5-7-15(8-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072060
PNG
(3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3']bipyri...)
Show SMILES Cc1cnc(-c2cccnc2)c(c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16N2O2S/c1-13-10-17(14-5-7-16(8-6-14)23(2,21)22)18(20-11-13)15-4-3-9-19-12-15/h3-12H,1-2H3
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n/an/a 5.90E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072058
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,2']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccccn1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)14-7-5-12(6-8-14)15-10-13(18)11-20-17(15)16-4-2-3-9-19-16/h2-11H,1H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072059
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,4']bipyri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cnc1-c1ccncc1
Show InChI InChI=1S/C17H13ClN2O2S/c1-23(21,22)15-4-2-12(3-5-15)16-10-14(18)11-20-17(16)13-6-8-19-9-7-13/h2-11H,1H3
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n/an/a 8.10E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072065
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-4'-methyl-[2...)
Show SMILES Cc1ccncc1-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-7-8-20-11-17(12)18-16(9-14(19)10-21-18)13-3-5-15(6-4-13)24(2,22)23/h3-11H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072057
PNG
(5-Chloro-3-(4-methanesulfonyl-phenyl)-5'-methyl-[2...)
Show SMILES Cc1cncc(c1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15ClN2O2S/c1-12-7-14(10-20-9-12)18-17(8-15(19)11-21-18)13-3-5-16(6-4-13)24(2,22)23/h3-11H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50072062
PNG
(3-(4-Methanesulfonyl-phenyl)-[2,3']bipyridinyl | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccnc1-c1cccnc1
Show InChI InChI=1S/C17H14N2O2S/c1-22(20,21)15-8-6-13(7-9-15)16-5-3-11-19-17(16)14-4-2-10-18-12-14/h2-12H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2FX78M0
More data for this
Ligand-Target Pair