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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50008497   
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))
BDBM50073858
PNG
(CHEMBL43461 | N-[6-(4-Ethyl-thiazol-2-ylsulfanyl)-...)
Show SMILES CCc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h4-5,7,16H,3,6H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073867
PNG
(CHEMBL287909 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-1...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C12H10N2O4S3/c1-21(16,17)14-9-4-7-6-18-11(15)8(7)5-10(9)20-12-13-2-3-19-12/h2-5,14H,6H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029603
PNG
(CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073866
PNG
(CHEMBL37414 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O3S3/c1-8-7-20-14(15-8)21-13-6-10-9(3-4-12(10)17)5-11(13)16-22(2,18)19/h5-7,16H,3-4H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073862
PNG
(CHEMBL43520 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S3/c1-7-6-20-13(14-7)21-11-4-9-8(5-19-12(9)16)3-10(11)15-22(2,17)18/h3-4,6,15H,5H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073869
PNG
(CHEMBL289731 | N-[6-(4-Ethyl-thiazol-2-ylsulfanyl)...)
Show SMILES CCc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C15H16N2O3S3/c1-3-10-8-21-15(16-10)22-14-7-11-9(4-5-13(11)18)6-12(14)17-23(2,19)20/h6-8,17H,3-5H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073863
PNG
(CHEMBL290739 | N-[6-(3,5-Dichloro-pyridin-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N2O3S2/c1-24(21,22)19-12-4-8-2-3-13(20)10(8)6-14(12)23-15-11(17)5-9(16)7-18-15/h4-7,19H,2-3H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029603
PNG
(CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073864
PNG
(CHEMBL41405 | N-[1-Oxo-6-(4-vinyl-thiazol-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nc(C=C)cs1
Show InChI InChI=1S/C14H12N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h3-5,7,16H,1,6H2,2H3
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n/an/a 140n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073865
PNG
(CHEMBL41739 | N-[6-(3-Chloro-pyridin-2-ylsulfanyl)...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncccc1Cl
Show InChI InChI=1S/C15H13ClN2O3S2/c1-23(20,21)18-12-7-9-4-5-13(19)10(9)8-14(12)22-15-11(16)3-2-6-17-15/h2-3,6-8,18H,4-5H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073869
PNG
(CHEMBL289731 | N-[6-(4-Ethyl-thiazol-2-ylsulfanyl)...)
Show SMILES CCc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C15H16N2O3S3/c1-3-10-8-21-15(16-10)22-14-7-11-9(4-5-13(11)18)6-12(14)17-23(2,19)20/h6-8,17H,3-5H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073860
PNG
(CHEMBL434014 | N-[6-(4-Methylsulfanyl-thiazol-2-yl...)
Show SMILES CSc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S4/c1-20-11-6-21-13(14-11)22-10-4-8-7(5-19-12(8)16)3-9(10)15-23(2,17)18/h3-4,6,15H,5H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073864
PNG
(CHEMBL41405 | N-[1-Oxo-6-(4-vinyl-thiazol-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nc(C=C)cs1
Show InChI InChI=1S/C14H12N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h3-5,7,16H,1,6H2,2H3
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n/an/a 310n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50048190
PNG
(CHEMBL289262 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-6-8-2-3-11(16)9(8)7-12(10)20-13-14-4-5-19-13/h4-7,15H,2-3H2,1H3
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n/an/a 320n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073862
PNG
(CHEMBL43520 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S3/c1-7-6-20-13(14-7)21-11-4-9-8(5-19-12(9)16)3-10(11)15-22(2,17)18/h3-4,6,15H,5H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073863
PNG
(CHEMBL290739 | N-[6-(3,5-Dichloro-pyridin-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N2O3S2/c1-24(21,22)19-12-4-8-2-3-13(20)10(8)6-14(12)23-15-11(17)5-9(16)7-18-15/h4-7,19H,2-3H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073866
PNG
(CHEMBL37414 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O3S3/c1-8-7-20-14(15-8)21-13-6-10-9(3-4-12(10)17)5-11(13)16-22(2,18)19/h5-7,16H,3-4H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50048190
PNG
(CHEMBL289262 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-6-8-2-3-11(16)9(8)7-12(10)20-13-14-4-5-19-13/h4-7,15H,2-3H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50048220
PNG
(CHEMBL35992 | N-[1-Oxo-6-(pyridin-2-ylsulfanyl)-in...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccccn1
Show InChI InChI=1S/C15H14N2O3S2/c1-22(19,20)17-12-8-10-5-6-13(18)11(10)9-14(12)21-15-4-2-3-7-16-15/h2-4,7-9,17H,5-6H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073865
PNG
(CHEMBL41739 | N-[6-(3-Chloro-pyridin-2-ylsulfanyl)...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncccc1Cl
Show InChI InChI=1S/C15H13ClN2O3S2/c1-23(20,21)18-12-7-9-4-5-13(19)10(9)8-14(12)22-15-11(16)3-2-6-17-15/h2-3,6-8,18H,4-5H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073867
PNG
(CHEMBL287909 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-1...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C12H10N2O4S3/c1-21(16,17)14-9-4-7-6-18-11(15)8(7)5-10(9)20-12-13-2-3-19-12/h2-5,14H,6H2,1H3
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n/an/a 610n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073866
PNG
(CHEMBL37414 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O3S3/c1-8-7-20-14(15-8)21-13-6-10-9(3-4-12(10)17)5-11(13)16-22(2,18)19/h5-7,16H,3-4H2,1-2H3
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n/an/a 620n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073859
PNG
(CHEMBL37371 | N-[6-(5-Methyl-pyridin-2-ylsulfanyl)...)
Show SMILES Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)nc1
Show InChI InChI=1S/C16H16N2O3S2/c1-10-3-6-16(17-9-10)22-15-8-12-11(4-5-14(12)19)7-13(15)18-23(2,20)21/h3,6-9,18H,4-5H2,1-2H3
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n/an/a 640n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50048220
PNG
(CHEMBL35992 | N-[1-Oxo-6-(pyridin-2-ylsulfanyl)-in...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccccn1
Show InChI InChI=1S/C15H14N2O3S2/c1-22(19,20)17-12-8-10-5-6-13(18)11(10)9-14(12)21-15-4-2-3-7-16-15/h2-4,7-9,17H,5-6H2,1H3
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n/an/a 810n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073861
PNG
(CHEMBL43402 | N-[6-(5-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1cnc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)s1
Show InChI InChI=1S/C14H14N2O3S3/c1-8-7-15-14(20-8)21-13-6-10-9(3-4-12(10)17)5-11(13)16-22(2,18)19/h5-7,16H,3-4H2,1-2H3
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n/an/a 870n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073858
PNG
(CHEMBL43461 | N-[6-(4-Ethyl-thiazol-2-ylsulfanyl)-...)
Show SMILES CCc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h4-5,7,16H,3,6H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073859
PNG
(CHEMBL37371 | N-[6-(5-Methyl-pyridin-2-ylsulfanyl)...)
Show SMILES Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)nc1
Show InChI InChI=1S/C16H16N2O3S2/c1-10-3-6-16(17-9-10)22-15-8-12-11(4-5-14(12)19)7-13(15)18-23(2,20)21/h3,6-9,18H,4-5H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073867
PNG
(CHEMBL287909 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-1...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C12H10N2O4S3/c1-21(16,17)14-9-4-7-6-18-11(15)8(7)5-10(9)20-12-13-2-3-19-12/h2-5,14H,6H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073861
PNG
(CHEMBL43402 | N-[6-(5-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1cnc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)s1
Show InChI InChI=1S/C14H14N2O3S3/c1-8-7-15-14(20-8)21-13-6-10-9(3-4-12(10)17)5-11(13)16-22(2,18)19/h5-7,16H,3-4H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50029603
PNG
(CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F
Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073868
PNG
(CHEMBL39013 | N-[6-(4,5-Dimethyl-thiazol-2-ylsulfa...)
Show SMILES Cc1nc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)sc1C
Show InChI InChI=1S/C15H16N2O3S3/c1-8-9(2)21-15(16-8)22-14-7-11-10(4-5-13(11)18)6-12(14)17-23(3,19)20/h6-7,17H,4-5H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073868
PNG
(CHEMBL39013 | N-[6-(4,5-Dimethyl-thiazol-2-ylsulfa...)
Show SMILES Cc1nc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)sc1C
Show InChI InChI=1S/C15H16N2O3S3/c1-8-9(2)21-15(16-8)22-14-7-11-10(4-5-13(11)18)6-12(14)17-23(3,19)20/h6-7,17H,4-5H2,1-3H3
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n/an/a>1.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073863
PNG
(CHEMBL290739 | N-[6-(3,5-Dichloro-pyridin-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N2O3S2/c1-24(21,22)19-12-4-8-2-3-13(20)10(8)6-14(12)23-15-11(17)5-9(16)7-18-15/h4-7,19H,2-3H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073865
PNG
(CHEMBL41739 | N-[6-(3-Chloro-pyridin-2-ylsulfanyl)...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncccc1Cl
Show InChI InChI=1S/C15H13ClN2O3S2/c1-23(20,21)18-12-7-9-4-5-13(19)10(9)8-14(12)22-15-11(16)3-2-6-17-15/h2-3,6-8,18H,4-5H2,1H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073858
PNG
(CHEMBL43461 | N-[6-(4-Ethyl-thiazol-2-ylsulfanyl)-...)
Show SMILES CCc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h4-5,7,16H,3,6H2,1-2H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073862
PNG
(CHEMBL43520 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S3/c1-7-6-20-13(14-7)21-11-4-9-8(5-19-12(9)16)3-10(11)15-22(2,17)18/h3-4,6,15H,5H2,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073860
PNG
(CHEMBL434014 | N-[6-(4-Methylsulfanyl-thiazol-2-yl...)
Show SMILES CSc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S4/c1-20-11-6-21-13(14-11)22-10-4-8-7(5-19-12(8)16)3-9(10)15-23(2,17)18/h3-4,6,15H,5H2,1-2H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50073860
PNG
(CHEMBL434014 | N-[6-(4-Methylsulfanyl-thiazol-2-yl...)
Show SMILES CSc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S4/c1-20-11-6-21-13(14-11)22-10-4-8-7(5-19-12(8)16)3-9(10)15-23(2,17)18/h3-4,6,15H,5H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073864
PNG
(CHEMBL41405 | N-[1-Oxo-6-(4-vinyl-thiazol-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nc(C=C)cs1
Show InChI InChI=1S/C14H12N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h3-5,7,16H,1,6H2,2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50048190
PNG
(CHEMBL289262 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-6-8-2-3-11(16)9(8)7-12(10)20-13-14-4-5-19-13/h4-7,15H,2-3H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073869
PNG
(CHEMBL289731 | N-[6-(4-Ethyl-thiazol-2-ylsulfanyl)...)
Show SMILES CCc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C15H16N2O3S3/c1-3-10-8-21-15(16-10)22-14-7-11-9(4-5-13(11)18)6-12(14)17-23(2,19)20/h6-8,17H,3-5H2,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50048220
PNG
(CHEMBL35992 | N-[1-Oxo-6-(pyridin-2-ylsulfanyl)-in...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccccn1
Show InChI InChI=1S/C15H14N2O3S2/c1-22(19,20)17-12-8-10-5-6-13(18)11(10)9-14(12)21-15-4-2-3-7-16-15/h2-4,7-9,17H,5-6H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073862
PNG
(CHEMBL43520 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S3/c1-7-6-20-13(14-7)21-11-4-9-8(5-19-12(9)16)3-10(11)15-22(2,17)18/h3-4,6,15H,5H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073859
PNG
(CHEMBL37371 | N-[6-(5-Methyl-pyridin-2-ylsulfanyl)...)
Show SMILES Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)nc1
Show InChI InChI=1S/C16H16N2O3S2/c1-10-3-6-16(17-9-10)22-15-8-12-11(4-5-14(12)19)7-13(15)18-23(2,20)21/h3,6-9,18H,4-5H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073864
PNG
(CHEMBL41405 | N-[1-Oxo-6-(4-vinyl-thiazol-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2COC(=O)c2cc1Sc1nc(C=C)cs1
Show InChI InChI=1S/C14H12N2O4S3/c1-3-9-7-21-14(15-9)22-12-5-10-8(6-20-13(10)17)4-11(12)16-23(2,18)19/h3-5,7,16H,1,6H2,2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073859
PNG
(CHEMBL37371 | N-[6-(5-Methyl-pyridin-2-ylsulfanyl)...)
Show SMILES Cc1ccc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)nc1
Show InChI InChI=1S/C16H16N2O3S2/c1-10-3-6-16(17-9-10)22-15-8-12-11(4-5-14(12)19)7-13(15)18-23(2,20)21/h3,6-9,18H,4-5H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073866
PNG
(CHEMBL37414 | N-[6-(4-Methyl-thiazol-2-ylsulfanyl)...)
Show SMILES Cc1csc(Sc2cc3C(=O)CCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C14H14N2O3S3/c1-8-7-20-14(15-8)21-13-6-10-9(3-4-12(10)17)5-11(13)16-22(2,18)19/h5-7,16H,3-4H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073860
PNG
(CHEMBL434014 | N-[6-(4-Methylsulfanyl-thiazol-2-yl...)
Show SMILES CSc1csc(Sc2cc3C(=O)OCc3cc2NS(C)(=O)=O)n1
Show InChI InChI=1S/C13H12N2O4S4/c1-20-11-6-21-13(14-11)22-10-4-8-7(5-19-12(8)16)3-9(10)15-23(2,17)18/h3-4,6,15H,5H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50073863
PNG
(CHEMBL290739 | N-[6-(3,5-Dichloro-pyridin-2-ylsulf...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ncc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2N2O3S2/c1-24(21,22)19-12-4-8-2-3-13(20)10(8)6-14(12)23-15-11(17)5-9(16)7-18-15/h4-7,19H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50048190
PNG
(CHEMBL289262 | N-[1-Oxo-6-(thiazol-2-ylsulfanyl)-i...)
Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1nccs1
Show InChI InChI=1S/C13H12N2O3S3/c1-21(17,18)15-10-6-8-2-3-11(16)9(8)7-12(10)20-13-14-4-5-19-13/h4-7,15H,2-3H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 9: 151-6 (1999)


BindingDB Entry DOI: 10.7270/Q21G0KFM
More data for this
Ligand-Target Pair
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