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PubMed code 8627608

Compile data set for download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049644
PNG
(4,4',5'-Trifluoro-3-methyl-[1,1';2',1'']terphenyl-...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049619
PNG
(3-Chloro-4,4',5'-trifluoro-[1,1';2',1'']terphenyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049653
PNG
(4-Chloro-4',5'-difluoro-3-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049622
PNG
(2'-Benzo[1,3]dioxol-5-yl-4',5'-difluoro-biphenyl-4...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049659
PNG
(4',5',4''-Trifluoro-[1,1';2',1'']terphenyl-4-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049645
PNG
(4',5'-Difluoro-4''-methyl-[1,1';2',1'']terphenyl-4...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049623
PNG
(4,4',5'-Trifluoro-4''-methanesulfonyl-3-methyl-[1,...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049656
PNG
(4',5'-Difluoro-4-methoxy-3-methyl-[1,1';2',1'']ter...)
Show SMILES COc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO3S/c1-12-9-14(5-8-20(12)26-2)17-11-19(22)18(21)10-16(17)13-3-6-15(7-4-13)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049662
PNG
(4',5'-Difluoro-3,4-dimethyl-[1,1';2',1'']terphenyl...)
Show SMILES Cc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO2S/c1-12-3-4-15(9-13(12)2)18-11-20(22)19(21)10-17(18)14-5-7-16(8-6-14)26(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049646
PNG
(3-Chloro-4-dimethylamino-4',5'-difluoro-[1,1';2',1...)
Show SMILES CN(C)c1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17ClF2N2O2S/c1-25(2)20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)28(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049651
PNG
(4-Chloro-[1,1'';2'',1'''']terphenyl-4''''-sulfonic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO2S/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(12-8-14)23(20,21)22/h1-12H,(H2,20,21,22)
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049617
PNG
(4-Chloro-4',5'-difluoro-4''-methanesulfonyl-3-meth...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049660
PNG
(4',5'-Difluoro-4''-methanesulfonyl-4-methyl-[1,1';...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H16F2O2S/c1-13-3-5-14(6-4-13)17-11-19(21)20(22)12-18(17)15-7-9-16(10-8-15)25(2,23)24/h3-12H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049649
PNG
((3-Chloro-4',5'-difluoro-4''-methanesulfonyl-[1,1'...)
Show SMILES CN(C)c1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18ClF2NO2S/c1-25(2)21-9-6-14(10-18(21)22)17-12-20(24)19(23)11-16(17)13-4-7-15(8-5-13)28(3,26)27/h4-12H,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049642
PNG
(3-Chloro-4,4',5'-trifluoro-4''-methanesulfonyl-[1,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H12ClF3O2S/c1-26(24,25)13-5-2-11(3-6-13)14-9-18(22)19(23)10-15(14)12-4-7-17(21)16(20)8-12/h2-10H,1H3
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n/an/a 10n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049635
PNG
(5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14F2O4S/c1-27(23,24)14-5-2-12(3-6-14)15-9-17(21)18(22)10-16(15)13-4-7-19-20(8-13)26-11-25-19/h2-10H,11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049652
PNG
(3-Chloro-4',5'-difluoro-4-methoxy-[1,1';2',1'']ter...)
Show SMILES COc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO3S/c1-26-19-7-4-12(8-16(19)20)15-10-18(22)17(21)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049639
PNG
(3,4',5'-Trifluoro-4-methoxy-[1,1';2',1'']terphenyl...)
Show SMILES COc1ccc(cc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO3S/c1-26-19-7-4-12(8-18(19)22)15-10-17(21)16(20)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049637
PNG
(3-Chloro-4',5'-difluoro-4''-methanesulfonyl-4-meth...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O2S/c1-12-3-4-14(9-18(12)21)17-11-20(23)19(22)10-16(17)13-5-7-15(8-6-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049636
PNG
(4',5'-Difluoro-4''-methanesulfonyl-4-methoxy-3-met...)
Show SMILES COc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O3S/c1-13-10-15(6-9-21(13)26-2)18-12-20(23)19(22)11-17(18)14-4-7-16(8-5-14)27(3,24)25/h4-12H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049632
PNG
(4',5',4''-Trifluoro-4-methanesulfonyl-[1,1';2',1''...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H13F3O2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(22)18(21)10-16(17)12-2-6-14(20)7-3-12/h2-11H,1H3
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n/an/a 14n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049633
PNG
(3-Chloro-4-fluoro-[1,1'';2'',1'''']terphenyl-4''''...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H13ClFNO2S/c19-17-11-13(7-10-18(17)20)16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(21,22)23/h1-11H,(H2,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049618
PNG
(3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4'''...)
Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
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n/an/a 19n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049641
PNG
(3-Chloro-4',5'-difluoro-4''-methanesulfonyl-4-meth...)
Show SMILES COc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O3S/c1-26-20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049621
PNG
(3,5-Dichloro-4',5'-difluoro-4-methoxy-[1,1';2',1''...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H13Cl2F2NO3S/c1-27-19-15(20)6-11(7-16(19)21)14-9-18(23)17(22)8-13(14)10-2-4-12(5-3-10)28(24,25)26/h2-9H,1H3,(H2,24,25,26)
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n/an/a 21n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049634
PNG
(3,4',5'-Trifluoro-4''-methanesulfonyl-4-methoxy-[1...)
Show SMILES COc1ccc(cc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O3S/c1-26-20-8-5-13(9-19(20)23)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049640
PNG
(4',5'-Difluoro-4''-methanesulfonyl-3,4-dimethyl-[1...)
Show SMILES Cc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O2S/c1-13-4-5-16(10-14(13)2)19-12-21(23)20(22)11-18(19)15-6-8-17(9-7-15)26(3,24)25/h4-12H,1-3H3
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n/an/a 23n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049647
PNG
(2'-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4',5'-diflu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15F2NO4S/c21-17-10-15(12-1-4-14(5-2-12)28(23,24)25)16(11-18(17)22)13-3-6-19-20(9-13)27-8-7-26-19/h1-6,9-11H,7-8H2,(H2,23,24,25)
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n/an/a 32n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049661
PNG
(3''''-Fluoro-4''''-methoxy-[1,1'';2'',1'''']terphe...)
Show SMILES COc1ccc(cc1F)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16FNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
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n/an/a 33n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049663
PNG
(4',5'-Difluoro-2'-(6-methyl-pyridin-3-yl)-biphenyl...)
Show SMILES Cc1ccc(cn1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F2N2O2S/c1-11-2-3-13(10-22-11)16-9-18(20)17(19)8-15(16)12-4-6-14(7-5-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
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n/an/a 51n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049657
PNG
(4''-Fluoro-[1,1';2',1'']terphenyl-4-sulfonic acid ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO2S/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(12-8-14)23(20,21)22/h1-12H,(H2,20,21,22)
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n/an/a 61n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049616
PNG
(4',5'-Difluoro-3,4-dimethoxy-[1,1';2',1'']terpheny...)
Show SMILES COc1ccc(cc1OC)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO4S/c1-26-19-8-5-13(9-20(19)27-2)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)28(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 65n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049650
PNG
(5-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-b...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3
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n/an/a 83n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-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 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049629
PNG
(4''''-Chloro-4-methanesulfonyl-[1,1'';2'',1'''']te...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClO2S/c1-23(21,22)17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2-13H,1H3
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n/an/a 140n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049628
PNG
(5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES Cc1ccc(cn1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-3-4-14(11-22-12)17-10-19(21)18(20)9-16(17)13-5-7-15(8-6-13)25(2,23)24/h3-11H,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049654
PNG
(4',5'-Dichloro-4''-fluoro-4-methanesulfonyl-[1,1';...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)c(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H13Cl2FO2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(21)18(20)10-16(17)12-2-6-14(22)7-3-12/h2-11H,1H3
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n/an/a 240n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049631
PNG
(4''''-Fluoro-4-methanesulfonyl-[1,1'';2'',1'''']te...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FO2S/c1-23(21,22)17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2-13H,1H3
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n/an/a 260n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049620
PNG
(4',5'-Difluoro-2'-(5-methyl-pyridin-2-yl)-biphenyl...)
Show SMILES Cc1ccc(nc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F2N2O2S/c1-11-2-7-18(22-10-11)15-9-17(20)16(19)8-14(15)12-3-5-13(6-4-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
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n/an/a 330n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049624
PNG
(6-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H16F2O4S/c1-28(24,25)15-5-2-13(3-6-15)16-11-18(22)19(23)12-17(16)14-4-7-20-21(10-14)27-9-8-26-20/h2-7,10-12H,8-9H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049643
PNG
(4',5'-Difluoro-4''-methanesulfonyl-3,4-dimethoxy-[...)
Show SMILES COc1ccc(cc1OC)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O4S/c1-26-20-9-6-14(10-21(20)27-2)17-12-19(23)18(22)11-16(17)13-4-7-15(8-5-13)28(3,24)25/h4-12H,1-3H3
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PubMed
n/an/a 340n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049630
PNG
(3''''-Chloro-4''''-fluoro-4-methanesulfonyl-[1,1''...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClFO2S/c1-24(22,23)15-9-6-13(7-10-15)16-4-2-3-5-17(16)14-8-11-19(21)18(20)12-14/h2-12H,1H3
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PubMed
n/an/a 360n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049646
PNG
(3-Chloro-4-dimethylamino-4',5'-difluoro-[1,1';2',1...)
Show SMILES CN(C)c1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17ClF2N2O2S/c1-25(2)20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)28(24,26)27/h3-11H,1-2H3,(H2,24,26,27)
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n/an/a 590n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(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
PubMed
n/an/a 900n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049622
PNG
(2'-Benzo[1,3]dioxol-5-yl-4',5'-difluoro-biphenyl-4...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049644
PNG
(4,4',5'-Trifluoro-3-methyl-[1,1';2',1'']terphenyl-...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049653
PNG
(4-Chloro-4',5'-difluoro-3-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049651
PNG
(4-Chloro-[1,1'';2'',1'''']terphenyl-4''''-sulfonic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO2S/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(12-8-14)23(20,21)22/h1-12H,(H2,20,21,22)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049619
PNG
(3-Chloro-4,4',5'-trifluoro-[1,1';2',1'']terphenyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049659
PNG
(4',5',4''-Trifluoro-[1,1';2',1'']terphenyl-4-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049618
PNG
(3-Chloro-4-methoxy-[1,1'';2'',1'''']terphenyl-4'''...)
Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049633
PNG
(3-Chloro-4-fluoro-[1,1'';2'',1'''']terphenyl-4''''...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H13ClFNO2S/c19-17-11-13(7-10-18(17)20)16-4-2-1-3-15(16)12-5-8-14(9-6-12)24(21,22)23/h1-11H,(H2,21,22,23)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049656
PNG
(4',5'-Difluoro-4-methoxy-3-methyl-[1,1';2',1'']ter...)
Show SMILES COc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO3S/c1-12-9-14(5-8-20(12)26-2)17-11-19(22)18(21)10-16(17)13-3-6-15(7-4-13)27(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049638
PNG
(3-Chloro-4''-methanesulfonyl-4-methoxy-[1,1';2',1'...)
Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17ClO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049661
PNG
(3''''-Fluoro-4''''-methoxy-[1,1'';2'',1'''']terphe...)
Show SMILES COc1ccc(cc1F)-c1ccccc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16FNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049662
PNG
(4',5'-Difluoro-3,4-dimethyl-[1,1';2',1'']terphenyl...)
Show SMILES Cc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO2S/c1-12-3-4-15(9-13(12)2)18-11-20(22)19(21)10-17(18)14-5-7-16(8-6-14)26(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 1.65E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049645
PNG
(4',5'-Difluoro-4''-methyl-[1,1';2',1'']terphenyl-4...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049647
PNG
(2'-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4',5'-diflu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15F2NO4S/c21-17-10-15(12-1-4-14(5-2-12)28(23,24)25)16(11-18(17)22)13-3-6-19-20(9-13)27-8-7-26-19/h1-6,9-11H,7-8H2,(H2,23,24,25)
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n/an/a 1.79E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049652
PNG
(3-Chloro-4',5'-difluoro-4-methoxy-[1,1';2',1'']ter...)
Show SMILES COc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO3S/c1-26-19-7-4-12(8-16(19)20)15-10-18(22)17(21)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049657
PNG
(4''-Fluoro-[1,1';2',1'']terphenyl-4-sulfonic acid ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO2S/c19-15-9-5-13(6-10-15)17-3-1-2-4-18(17)14-7-11-16(12-8-14)23(20,21)22/h1-12H,(H2,20,21,22)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049639
PNG
(3,4',5'-Trifluoro-4-methoxy-[1,1';2',1'']terphenyl...)
Show SMILES COc1ccc(cc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO3S/c1-26-19-7-4-12(8-18(19)22)15-10-17(21)16(20)9-14(15)11-2-5-13(6-3-11)27(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049626
PNG
(2-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES Cc1ccc(nc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-3-8-19(22-11-12)16-10-18(21)17(20)9-15(16)13-4-6-14(7-5-13)25(2,23)24/h3-11H,1-2H3
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n/an/a 5.23E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049664
PNG
(3-Fluoro-4''-methanesulfonyl-4-methoxy-[1,1';2',1'...)
Show SMILES COc1ccc(cc1F)-c1ccccc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17FO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049650
PNG
(5-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-b...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FO4S/c1-26(22,23)16-8-4-14(5-9-16)18-11-20-19(24-12-25-20)10-17(18)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049630
PNG
(3''''-Chloro-4''''-fluoro-4-methanesulfonyl-[1,1''...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H14ClFO2S/c1-24(22,23)15-9-6-13(7-10-15)16-4-2-3-5-17(16)14-8-11-19(21)18(20)12-14/h2-12H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049631
PNG
(4''''-Fluoro-4-methanesulfonyl-[1,1'';2'',1'''']te...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FO2S/c1-23(21,22)17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2-13H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049621
PNG
(3,5-Dichloro-4',5'-difluoro-4-methoxy-[1,1';2',1''...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H13Cl2F2NO3S/c1-27-19-15(20)6-11(7-16(19)21)14-9-18(23)17(22)8-13(14)10-2-4-12(5-3-10)28(24,25)26/h2-9H,1H3,(H2,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049658
PNG
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-n...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2ccccc2cc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FO2S/c1-27(25,26)21-12-8-17(9-13-21)23-15-19-5-3-2-4-18(19)14-22(23)16-6-10-20(24)11-7-16/h2-15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049629
PNG
(4''''-Chloro-4-methanesulfonyl-[1,1'';2'',1'''']te...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClO2S/c1-23(21,22)17-12-8-15(9-13-17)19-5-3-2-4-18(19)14-6-10-16(20)11-7-14/h2-13H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049648
PNG
(3,5-Dichloro-4',5'-difluoro-4''-methanesulfonyl-4-...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H14Cl2F2O3S/c1-27-20-16(21)7-12(8-17(20)22)15-10-19(24)18(23)9-14(15)11-3-5-13(6-4-11)28(2,25)26/h3-10H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049655
PNG
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccnc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2S/c1-23(21,22)15-8-4-13(5-9-15)17-16(19-10-11-20-17)12-2-6-14(18)7-3-12/h2-11H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049624
PNG
(6-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H16F2O4S/c1-28(24,25)15-5-2-13(3-6-15)16-11-18(22)19(23)12-17(16)14-4-7-20-21(10-14)27-9-8-26-20/h2-7,10-12H,8-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049638
PNG
(3-Chloro-4''-methanesulfonyl-4-methoxy-[1,1';2',1'...)
Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17ClO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049616
PNG
(4',5'-Difluoro-3,4-dimethoxy-[1,1';2',1'']terpheny...)
Show SMILES COc1ccc(cc1OC)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H17F2NO4S/c1-26-19-8-5-13(9-20(19)27-2)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)28(23,24)25/h3-11H,1-2H3,(H2,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049655
PNG
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nccnc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2S/c1-23(21,22)15-8-4-13(5-9-15)17-16(19-10-11-20-17)12-2-6-14(18)7-3-12/h2-11H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049626
PNG
(2-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES Cc1ccc(nc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-3-8-19(22-11-12)16-10-18(21)17(20)9-15(16)13-4-6-14(7-5-13)25(2,23)24/h3-11H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049640
PNG
(4',5'-Difluoro-4''-methanesulfonyl-3,4-dimethyl-[1...)
Show SMILES Cc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O2S/c1-13-4-5-16(10-14(13)2)19-12-21(23)20(22)11-18(19)15-6-8-17(9-7-15)26(3,24)25/h4-12H,1-3H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049617
PNG
(4-Chloro-4',5'-difluoro-4''-methanesulfonyl-3-meth...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049643
PNG
(4',5'-Difluoro-4''-methanesulfonyl-3,4-dimethoxy-[...)
Show SMILES COc1ccc(cc1OC)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O4S/c1-26-20-9-6-14(10-21(20)27-2)17-12-19(23)18(22)11-16(17)13-4-7-15(8-5-13)28(3,24)25/h4-12H,1-3H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049658
PNG
(2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-n...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2ccccc2cc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FO2S/c1-27(25,26)21-12-8-17(9-13-21)23-15-19-5-3-2-4-18(19)14-22(23)16-6-10-20(24)11-7-16/h2-15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049627
PNG
(4,3',4',5',6'-Pentafluoro-4''-methanesulfonyl-[1,1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(F)c(F)c(F)c(F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C19H11F5O2S/c1-27(25,26)13-8-4-11(5-9-13)15-14(10-2-6-12(20)7-3-10)16(21)18(23)19(24)17(15)22/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049660
PNG
(4',5'-Difluoro-4''-methanesulfonyl-4-methyl-[1,1';...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H16F2O2S/c1-13-3-5-14(6-4-13)17-11-19(21)20(22)12-18(17)15-7-9-16(10-8-15)25(2,23)24/h3-12H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049620
PNG
(4',5'-Difluoro-2'-(5-methyl-pyridin-2-yl)-biphenyl...)
Show SMILES Cc1ccc(nc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F2N2O2S/c1-11-2-7-18(22-10-11)15-9-17(20)16(19)8-14(15)12-3-5-13(6-4-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049664
PNG
(3-Fluoro-4''-methanesulfonyl-4-methoxy-[1,1';2',1'...)
Show SMILES COc1ccc(cc1F)-c1ccccc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17FO3S/c1-24-20-12-9-15(13-19(20)21)18-6-4-3-5-17(18)14-7-10-16(11-8-14)25(2,22)23/h3-13H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049627
PNG
(4,3',4',5',6'-Pentafluoro-4''-methanesulfonyl-[1,1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(F)c(F)c(F)c(F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C19H11F5O2S/c1-27(25,26)13-8-4-11(5-9-13)15-14(10-2-6-12(20)7-3-10)16(21)18(23)19(24)17(15)22/h2-9H,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049637
PNG
(3-Chloro-4',5'-difluoro-4''-methanesulfonyl-4-meth...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O2S/c1-12-3-4-14(9-18(12)21)17-11-20(23)19(22)10-16(17)13-5-7-15(8-6-13)26(2,24)25/h3-11H,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049642
PNG
(3-Chloro-4,4',5'-trifluoro-4''-methanesulfonyl-[1,...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H12ClF3O2S/c1-26(24,25)13-5-2-11(3-6-13)14-9-18(22)19(23)10-15(14)12-4-7-17(21)16(20)8-12/h2-10H,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049636
PNG
(4',5'-Difluoro-4''-methanesulfonyl-4-methoxy-3-met...)
Show SMILES COc1ccc(cc1C)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F2O3S/c1-13-10-15(6-9-21(13)26-2)18-12-20(23)19(22)11-17(18)14-4-7-16(8-5-14)27(3,24)25/h4-12H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049648
PNG
(3,5-Dichloro-4',5'-difluoro-4''-methanesulfonyl-4-...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H14Cl2F2O3S/c1-27-20-16(21)7-12(8-17(20)22)15-10-19(24)18(23)9-14(15)11-3-5-13(6-4-11)28(2,25)26/h3-10H,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049634
PNG
(3,4',5'-Trifluoro-4''-methanesulfonyl-4-methoxy-[1...)
Show SMILES COc1ccc(cc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O3S/c1-26-20-8-5-13(9-19(20)23)16-11-18(22)17(21)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049628
PNG
(5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES Cc1ccc(cn1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-3-4-14(11-22-12)17-10-19(21)18(20)9-16(17)13-5-7-15(8-6-13)25(2,23)24/h3-11H,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049641
PNG
(3-Chloro-4',5'-difluoro-4''-methanesulfonyl-4-meth...)
Show SMILES COc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15ClF2O3S/c1-26-20-8-5-13(9-17(20)21)16-11-19(23)18(22)10-15(16)12-3-6-14(7-4-12)27(2,24)25/h3-11H,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049649
PNG
((3-Chloro-4',5'-difluoro-4''-methanesulfonyl-[1,1'...)
Show SMILES CN(C)c1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18ClF2NO2S/c1-25(2)21-9-6-14(10-18(21)22)17-12-20(24)19(23)11-16(17)13-4-7-15(8-5-13)28(3,26)27/h4-12H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049623
PNG
(4,4',5'-Trifluoro-4''-methanesulfonyl-3-methyl-[1,...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049654
PNG
(4',5'-Dichloro-4''-fluoro-4-methanesulfonyl-[1,1';...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)c(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H13Cl2FO2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(21)18(20)10-16(17)12-2-6-14(22)7-3-12/h2-11H,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049635
PNG
(5-(4,5-Difluoro-4'-methanesulfonyl-biphenyl-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14F2O4S/c1-27(23,24)14-5-2-12(3-6-14)15-9-17(21)18(22)10-16(15)13-4-7-19-20(8-13)26-11-25-19/h2-10H,11H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049632
PNG
(4',5',4''-Trifluoro-4-methanesulfonyl-[1,1';2',1''...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H13F3O2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(22)18(21)10-16(17)12-2-6-14(20)7-3-12/h2-11H,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049663
PNG
(4',5'-Difluoro-2'-(6-methyl-pyridin-3-yl)-biphenyl...)
Show SMILES Cc1ccc(cn1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14F2N2O2S/c1-11-2-3-13(10-22-11)16-9-18(20)17(19)8-15(16)12-4-6-14(7-5-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
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n/an/a 2.65E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%