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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'crosson' and Initial = 'rm'   
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


(Canis familiaris)
BDBM50137438
PNG
(5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-triflu...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137423
PNG
(2-(4-Chloro-3-difluoromethyl-5-phenyl-pyrazol-1-yl...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Cl)c1-c1ccccc1
Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137420
PNG
(2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-3-27-13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)28(2,25)26/h4-11H,3H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137442
PNG
(2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137435
PNG
(2-(4-Chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(Cl)c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137439
PNG
(2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-10-3-5-12(13(18)7-10)14-8-15(17(19,20)21)23-24(14)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137424
PNG
(2-[4-Chloro-5-(3-chloro-4-methoxy-phenyl)-3-difluo...)
Show SMILES COc1ccc(cc1Cl)-c1c(Cl)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13Cl2F2N3O3S/c1-27-12-5-3-9(7-11(12)18)16-14(19)15(17(20)21)23-24(16)13-6-4-10(8-22-13)28(2,25)26/h3-8,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137411
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137437
PNG
(5-Methanesulfonyl-2-[5-(4-methylsulfanyl-phenyl)-3...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S2/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3
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n/an/a 69n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137427
PNG
(2-(4-Bromo-3-difluoromethyl-5-phenyl-pyrazol-1-yl)...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Br)c1-c1ccccc1
Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137440
PNG
(CHEMBL176934 | {4-[2-(5-Methanesulfonyl-pyridin-2-...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O2S/c1-24(2)13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-25(15)17-9-8-14(11-22-17)28(3,26)27/h4-11H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137428
PNG
(2-[3-Difluoromethyl-5-(4-methylsulfanyl-phenyl)-py...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S2/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137414
PNG
(2-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137420
PNG
(2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-3-27-13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)28(2,25)26/h4-11H,3H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137412
PNG
(5-Methanesulfonyl-2-(4-methyl-5-phenyl-3-trifluoro...)
Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-15(12-6-4-3-5-7-12)23(22-16(11)17(18,19)20)14-9-8-13(10-21-14)26(2,24)25/h3-10H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137434
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-3-methyl-phenyl)-...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C18H17F2N3O3S/c1-11-8-12(4-6-16(11)26-2)15-9-14(18(19)20)22-23(15)17-7-5-13(10-21-17)27(3,24)25/h4-10,18H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137418
PNG
(2-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-5-meth...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S/c1-11-3-5-12(6-4-11)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)25(2,23)24/h3-10,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137432
PNG
(2-(3-Difluoromethyl-4-methyl-5-phenyl-pyrazol-1-yl...)
Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S/c1-11-15(17(18)19)21-22(16(11)12-6-4-3-5-7-12)14-9-8-13(10-20-14)25(2,23)24/h3-10,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137411
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137416
PNG
(2-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c1-26(24,25)12-6-7-15(21-9-12)23-13(8-14(22-23)16(18,19)20)10-2-4-11(17)5-3-10/h2-9H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137413
PNG
(2-[5-(4-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)12-6-7-15(21-9-12)23-13(8-14(22-23)16(18,19)20)10-2-4-11(17)5-3-10/h2-9H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137415
PNG
(5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-8-12(4-6-15(11)27-2)14-9-16(18(19,20)21)23-24(14)17-7-5-13(10-22-17)28(3,25)26/h4-10H,1-3H3
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n/an/a 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137410
PNG
(2-[5-(4-Bromo-phenyl)-3-difluoromethyl-pyrazol-1-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)F
Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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n/an/a 290n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137441
PNG
(2-[5-(3-Chloro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O3S/c1-27-14-5-3-10(7-12(14)18)13-8-15(17(19,20)21)23-24(13)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137429
PNG
(2-[3-Difluoromethyl-5-(4-fluoro-phenyl)-pyrazol-1-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(F)cc1)C(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137421
PNG
(2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-14-5-3-10(7-12(14)18)13-8-15(17(19,20)21)23-24(13)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137436
PNG
(2-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-...)
Show SMILES COc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137423
PNG
(2-(4-Chloro-3-difluoromethyl-5-phenyl-pyrazol-1-yl...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Cl)c1-c1ccccc1
Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137422
PNG
(2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)F)c(F)c1
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-10-3-5-12(13(18)7-10)15-8-14(17(19)20)22-23(15)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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n/an/a 390n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137417
PNG
(2-[3-Difluoromethyl-5-(4-ethyl-phenyl)-pyrazol-1-y...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C18H17F2N3O2S/c1-3-12-4-6-13(7-5-12)16-10-15(18(19)20)22-23(16)17-9-8-14(11-21-17)26(2,24)25/h4-11,18H,3H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137433
PNG
(5-(methylsulfonyl)-2-(5-phenyl-3-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c1-25(23,24)12-7-8-15(20-10-12)22-13(11-5-3-2-4-6-11)9-14(21-22)16(17,18)19/h2-10H,1H3
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n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137419
PNG
(2-[5-(4-Bromo-phenyl)-3-trifluoromethyl-pyrazol-1-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11BrF3N3O2S/c1-26(24,25)12-6-7-15(21-9-12)23-13(8-14(22-23)16(18,19)20)10-2-4-11(17)5-3-10/h2-9H,1H3
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n/an/a 450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50057583
PNG
(4-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
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n/an/a 630n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137438
PNG
(5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-triflu...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3
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n/an/a 830n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137428
PNG
(2-[3-Difluoromethyl-5-(4-methylsulfanyl-phenyl)-py...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S2/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137410
PNG
(2-[5-(4-Bromo-phenyl)-3-difluoromethyl-pyrazol-1-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)F
Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137424
PNG
(2-[4-Chloro-5-(3-chloro-4-methoxy-phenyl)-3-difluo...)
Show SMILES COc1ccc(cc1Cl)-c1c(Cl)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13Cl2F2N3O3S/c1-27-12-5-3-9(7-11(12)18)16-14(19)15(17(20)21)23-24(16)13-6-4-10(8-22-13)28(2,25)26/h3-8,17H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137431
PNG
(2-[5-(3-Bromo-4-methoxy-phenyl)-3-trifluoromethyl-...)
Show SMILES COc1ccc(cc1Br)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13BrF3N3O3S/c1-27-14-5-3-10(7-12(14)18)13-8-15(17(19,20)21)23-24(13)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137437
PNG
(5-Methanesulfonyl-2-[5-(4-methylsulfanyl-phenyl)-3...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S2/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137430
PNG
(2-[3-Difluoromethyl-5-(4-propyl-phenyl)-pyrazol-1-...)
Show SMILES CCCc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C19H19F2N3O2S/c1-3-4-13-5-7-14(8-6-13)17-11-16(19(20)21)23-24(17)18-10-9-15(12-22-18)27(2,25)26/h5-12,19H,3-4H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137427
PNG
(2-(4-Bromo-3-difluoromethyl-5-phenyl-pyrazol-1-yl)...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Br)c1-c1ccccc1
Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137439
PNG
(2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-10-3-5-12(13(18)7-10)14-8-15(17(19,20)21)23-24(14)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 5.57E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137435
PNG
(2-(4-Chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(Cl)c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50137426
PNG
(2-[3-Difluoromethyl-5-(4-isopropyl-phenyl)-pyrazol...)
Show SMILES CC(C)c1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C19H19F2N3O2S/c1-12(2)13-4-6-14(7-5-13)17-10-16(19(20)21)23-24(17)18-9-8-15(11-22-18)27(3,25)26/h4-12,19H,1-3H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137432
PNG
(2-(3-Difluoromethyl-4-methyl-5-phenyl-pyrazol-1-yl...)
Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S/c1-11-15(17(18)19)21-22(16(11)12-6-4-3-5-7-12)14-9-8-13(10-20-14)25(2,23)24/h3-10,17H,1-2H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137442
PNG
(2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50137418
PNG
(2-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-5-meth...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S/c1-11-3-5-12(6-4-11)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)25(2,23)24/h3-10,17H,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 95-8 (2003)


BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
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