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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50029918   
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



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289297
PNG
(6-(3,4-Difluoro-phenyl)-5-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F2N2O2S2/c1-26(23,24)13-5-2-11(3-6-13)17-16(21-18-22(17)8-9-25-18)12-4-7-14(19)15(20)10-12/h2-10H,1H3
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289302
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-imi...)
Show SMILES Cc1cn2c(c(nc2s1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-21-18(15-8-10-16(11-9-15)25(2,22)23)17(20-19(21)24-13)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289298
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-i...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)20-18-21(17)10-11-24-18/h2-11H,1H3
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289303
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-3,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-23-18/h2-12H,1H3
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-1 enzyme in human whole blood was determined


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289299
PNG
(2-Chloro-6-(4-chloro-phenyl)-5-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12Cl2N2O2S2/c1-26(23,24)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)21-18-22(17)10-15(20)25-18/h2-10H,1H3
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
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 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
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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Article
n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 59n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289300
PNG
(6-(4-Methylsulfanyl-phenyl)-5-phenyl-imidazo[2,1-b...)
Show SMILES CSc1ccc(cc1)-c1nc2sccn2c1-c1ccccc1
Show InChI InChI=1S/C18H14N2S2/c1-21-15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-22-18(20)19-16/h2-12H,1H3
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289314
PNG
(6-(4-Methanesulfonyl-phenyl)-2-methyl-5-phenyl-imi...)
Show SMILES Cc1cn2c(c(nc2s1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-21-18(15-6-4-3-5-7-15)17(20-19(21)24-13)14-8-10-16(11-9-14)25(2,22)23/h3-12H,1-2H3
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289304
PNG
(5-(4-Methylsulfanyl-phenyl)-6-phenyl-imidazo[2,1-b...)
Show SMILES CSc1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1
Show InChI InChI=1S/C18H14N2S2/c1-21-15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-22-18/h2-12H,1H3
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289298
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-i...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)20-18-21(17)10-11-24-18/h2-11H,1H3
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-2 enzyme in human whole blood was determined


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289304
PNG
(5-(4-Methylsulfanyl-phenyl)-6-phenyl-imidazo[2,1-b...)
Show SMILES CSc1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1
Show InChI InChI=1S/C18H14N2S2/c1-21-15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-22-18/h2-12H,1H3
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289303
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-3,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-23-18/h2-12H,1H3
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-2 enzyme in human whole blood was determined


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289307
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-imidazo[2,1-...)
Show SMILES CCOC(=O)c1csc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n12)-c1ccccc1
Show InChI InChI=1S/C21H18N2O4S2/c1-3-27-20(24)17-13-28-21-22-18(14-7-5-4-6-8-14)19(23(17)21)15-9-11-16(12-10-15)29(2,25)26/h4-13H,3H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289301
PNG
(6-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-imi...)
Show SMILES Cc1csc2nc(c(-c3ccccc3)n12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-24-19-20-17(14-8-10-16(11-9-14)25(2,22)23)18(21(13)19)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289297
PNG
(6-(3,4-Difluoro-phenyl)-5-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F2N2O2S2/c1-26(23,24)13-5-2-11(3-6-13)17-16(21-18-22(17)8-9-25-18)12-4-7-14(19)15(20)10-12/h2-10H,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-2 enzyme in human whole blood was determined


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289305
PNG
(5-(4-Methanesulfonyl-phenyl)-3-methyl-6-phenyl-imi...)
Show SMILES Cc1csc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n12)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-24-19-20-17(14-6-4-3-5-7-14)18(21(13)19)15-8-10-16(11-9-15)25(2,22)23/h3-12H,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289312
PNG
(6-(4-Methanesulfonyl-phenyl)-5-phenyl-imidazo[2,1-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sccn2c1-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-23-18(20)19-16/h2-12H,1H3
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Article
n/an/a 3.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289306
PNG
(2,3-Dichloro-6-(4-chloro-phenyl)-5-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc(Cl)c(Cl)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H11Cl3N2O2S2/c1-27(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)22-18-23(15)16(20)17(21)26-18/h2-9H,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289300
PNG
(6-(4-Methylsulfanyl-phenyl)-5-phenyl-imidazo[2,1-b...)
Show SMILES CSc1ccc(cc1)-c1nc2sccn2c1-c1ccccc1
Show InChI InChI=1S/C18H14N2S2/c1-21-15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-22-18(20)19-16/h2-12H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289309
PNG
(2-(4-Methanesulfonyl-phenyl)-3-phenyl-benzo[d]imid...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sc3ccccc3n2c1-c1ccccc1
Show InChI InChI=1S/C22H16N2O2S2/c1-28(25,26)17-13-11-15(12-14-17)20-21(16-7-3-2-4-8-16)24-18-9-5-6-10-19(18)27-22(24)23-20/h2-14H,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289310
PNG
(6-(4-Methanesulfonyl-phenyl)-2,3-dimethyl-5-phenyl...)
Show SMILES Cc1sc2nc(c(-c3ccccc3)n2c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18N2O2S2/c1-13-14(2)25-20-21-18(15-9-11-17(12-10-15)26(3,23)24)19(22(13)20)16-7-5-4-6-8-16/h4-12H,1-3H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289308
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-benzo[d]imid...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H16N2O2S2/c1-28(25,26)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)23-22-24(21)18-9-5-6-10-19(18)27-22/h2-14H,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289311
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-imidazo[2,1-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2scc(C(O)=O)n12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O4S2/c1-27(24,25)14-9-7-13(8-10-14)17-16(12-5-3-2-4-6-12)20-19-21(17)15(11-26-19)18(22)23/h2-11H,1H3,(H,22,23)
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n/an/a>5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289313
PNG
(5-(4-Methanesulfonyl-phenyl)-2,3-dimethyl-6-phenyl...)
Show SMILES Cc1sc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n2c1C)-c1ccccc1
Show InChI InChI=1S/C20H18N2O2S2/c1-13-14(2)25-20-21-18(15-7-5-4-6-8-15)19(22(13)20)16-9-11-17(12-10-16)26(3,23)24/h4-12H,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289302
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-imi...)
Show SMILES Cc1cn2c(c(nc2s1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-21-18(15-8-10-16(11-9-15)25(2,22)23)17(20-19(21)24-13)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-2 enzyme in human whole blood was determined


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289298
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-i...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)20-18-21(17)10-11-24-18/h2-11H,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo ability of the compound to inhibit cyclooxygenase-2 enzyme in human whole blood was determined


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289303
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-3,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-23-18/h2-12H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289303
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-3,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)19-18-20(17)11-12-23-18/h2-12H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289309
PNG
(2-(4-Methanesulfonyl-phenyl)-3-phenyl-benzo[d]imid...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sc3ccccc3n2c1-c1ccccc1
Show InChI InChI=1S/C22H16N2O2S2/c1-28(25,26)17-13-11-15(12-14-17)20-21(16-7-3-2-4-8-16)24-18-9-5-6-10-19(18)27-22(24)23-20/h2-14H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289302
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-6-phenyl-imi...)
Show SMILES Cc1cn2c(c(nc2s1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-21-18(15-8-10-16(11-9-15)25(2,22)23)17(20-19(21)24-13)14-6-4-3-5-7-14/h3-12H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289297
PNG
(6-(3,4-Difluoro-phenyl)-5-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F2N2O2S2/c1-26(23,24)13-5-2-11(3-6-13)17-16(21-18-22(17)8-9-25-18)12-4-7-14(19)15(20)10-12/h2-10H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289307
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-imidazo[2,1-...)
Show SMILES CCOC(=O)c1csc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n12)-c1ccccc1
Show InChI InChI=1S/C21H18N2O4S2/c1-3-27-20(24)17-13-28-21-22-18(14-7-5-4-6-8-14)19(23(17)21)15-9-11-16(12-10-15)29(2,25)26/h4-13H,3H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289314
PNG
(6-(4-Methanesulfonyl-phenyl)-2-methyl-5-phenyl-imi...)
Show SMILES Cc1cn2c(c(nc2s1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-21-18(15-6-4-3-5-7-15)17(20-19(21)24-13)14-8-10-16(11-9-14)25(2,22)23/h3-12H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289313
PNG
(5-(4-Methanesulfonyl-phenyl)-2,3-dimethyl-6-phenyl...)
Show SMILES Cc1sc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n2c1C)-c1ccccc1
Show InChI InChI=1S/C20H18N2O2S2/c1-13-14(2)25-20-21-18(15-7-5-4-6-8-15)19(22(13)20)16-9-11-17(12-10-16)26(3,23)24/h4-12H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289308
PNG
(3-(4-Methanesulfonyl-phenyl)-2-phenyl-benzo[d]imid...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C22H16N2O2S2/c1-28(25,26)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)23-22-24(21)18-9-5-6-10-19(18)27-22/h2-14H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289312
PNG
(6-(4-Methanesulfonyl-phenyl)-5-phenyl-imidazo[2,1-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2sccn2c1-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-23-18(20)19-16/h2-12H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289306
PNG
(2,3-Dichloro-6-(4-chloro-phenyl)-5-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc(Cl)c(Cl)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H11Cl3N2O2S2/c1-27(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(19)7-3-10)22-18-23(15)16(20)17(21)26-18/h2-9H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289310
PNG
(6-(4-Methanesulfonyl-phenyl)-2,3-dimethyl-5-phenyl...)
Show SMILES Cc1sc2nc(c(-c3ccccc3)n2c1C)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18N2O2S2/c1-13-14(2)25-20-21-18(15-9-11-17(12-10-15)26(3,23)24)19(22(13)20)16-7-5-4-6-8-16/h4-12H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289298
PNG
(6-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-i...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sccn12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)20-18-21(17)10-11-24-18/h2-11H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289299
PNG
(2-Chloro-6-(4-chloro-phenyl)-5-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12Cl2N2O2S2/c1-26(23,24)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)21-18-22(17)10-15(20)25-18/h2-10H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289301
PNG
(6-(4-Methanesulfonyl-phenyl)-3-methyl-5-phenyl-imi...)
Show SMILES Cc1csc2nc(c(-c3ccccc3)n12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-24-19-20-17(14-8-10-16(11-9-14)25(2,22)23)18(21(13)19)15-6-4-3-5-7-15/h3-12H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289311
PNG
(5-(4-Methanesulfonyl-phenyl)-6-phenyl-imidazo[2,1-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(nc2scc(C(O)=O)n12)-c1ccccc1
Show InChI InChI=1S/C19H14N2O4S2/c1-27(24,25)14-9-7-13(8-10-14)17-16(12-5-3-2-4-6-12)20-19-21(17)15(11-26-19)18(22)23/h2-11H,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289305
PNG
(5-(4-Methanesulfonyl-phenyl)-3-methyl-6-phenyl-imi...)
Show SMILES Cc1csc2nc(c(-c3ccc(cc3)S(C)(=O)=O)n12)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2S2/c1-13-12-24-19-20-17(14-6-4-3-5-7-14)18(21(13)19)15-8-10-16(11-9-15)25(2,22)23/h3-12H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-...


Bioorg Med Chem Lett 7: 47-52 (1997)


Article DOI: 10.1016/S0960-894X(96)00580-X
BindingDB Entry DOI: 10.7270/Q2FN166R
More data for this
Ligand-Target Pair