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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50017248   
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)
BDBM50179600
PNG
(5-(2-fluorobenzylthio)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C18H12F4N4O2S2/c1-30(27,28)12-6-7-15(24-9-12)26-17(13(8-23)16(25-26)18(20,21)22)29-10-11-4-2-3-5-14(11)19/h2-7,9H,10H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179598
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(propylthio)-...)
Show SMILES CCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2S2/c1-3-6-24-13-10(7-18)12(14(15,16)17)20-21(13)11-5-4-9(8-19-11)25(2,22)23/h4-5,8H,3,6H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179631
PNG
(5-(sec-butylthio)-1-(5-(methylsulfonyl)pyridin-2-y...)
Show SMILES CCC(C)Sc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2S2/c1-4-9(2)25-14-11(7-19)13(15(16,17)18)21-22(14)12-6-5-10(8-20-12)26(3,23)24/h5-6,8-9H,4H2,1-3H3
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n/an/a<50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179609
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(phenylthio)-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1Sc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N4O2S2/c1-28(25,26)12-7-8-14(22-10-12)24-16(27-11-5-3-2-4-6-11)13(9-21)15(23-24)17(18,19)20/h2-8,10H,1H3
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179596
PNG
(5-(cyclopentylmethoxy)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O3S/c1-28(25,26)12-6-7-14(22-9-12)24-16(27-10-11-4-2-3-5-11)13(8-21)15(23-24)17(18,19)20/h6-7,9,11H,2-5,10H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179611
PNG
(5-(cycloheptyloxy)-1-(5-(methylsulfonyl)pyridin-2-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OC1CCCCCC1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-29(26,27)13-8-9-15(23-11-13)25-17(28-12-6-4-2-3-5-7-12)14(10-22)16(24-25)18(19,20)21/h8-9,11-12H,2-7H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179616
PNG
(5-(benzylthio)-1-(5-(methylsulfonyl)pyridin-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2S2/c1-29(26,27)13-7-8-15(23-10-13)25-17(28-11-12-5-3-2-4-6-12)14(9-22)16(24-25)18(19,20)21/h2-8,10H,11H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179606
PNG
(5-(cyclobutylmethoxy)-1-(5-(methylsulfonyl)pyridin...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCC1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O3S/c1-27(24,25)11-5-6-13(21-8-11)23-15(26-9-10-3-2-4-10)12(7-20)14(22-23)16(17,18)19/h5-6,8,10H,2-4,9H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179620
PNG
(5-((4-methylenecyclohexyl)methoxy)-1-(5-(methylsul...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCC(=C)CC1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O3S/c1-12-3-5-13(6-4-12)11-29-18-15(9-23)17(19(20,21)22)25-26(18)16-8-7-14(10-24-16)30(2,27)28/h7-8,10,13H,1,3-6,11H2,2H3
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n/an/a<90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179591
PNG
(5-(3-methylbutan-2-yloxy)-1-(5-(methylsulfonyl)pyr...)
Show SMILES CC(C)C(C)Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S/c1-9(2)10(3)26-15-12(7-20)14(16(17,18)19)22-23(15)13-6-5-11(8-21-13)27(4,24)25/h5-6,8-10H,1-4H3
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n/an/a 90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179602
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(5,6,7,8-tetr...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1Oc1cccc2CCCCc12)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3S/c1-32(29,30)14-9-10-18(26-12-14)28-20(16(11-25)19(27-28)21(22,23)24)31-17-8-4-6-13-5-2-3-7-15(13)17/h4,6,8-10,12H,2-3,5,7H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179624
PNG
(5-(2,3-dimethylphenoxy)-1-(5-(methylsulfonyl)pyrid...)
Show SMILES Cc1cccc(Oc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c1C
Show InChI InChI=1S/C19H15F3N4O3S/c1-11-5-4-6-15(12(11)2)29-18-14(9-23)17(19(20,21)22)25-26(18)16-8-7-13(10-24-16)30(3,27)28/h4-8,10H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179621
PNG
(5-(cyclohexylthio)-1-(5-(methylsulfonyl)pyridin-2-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SC1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O2S2/c1-28(25,26)12-7-8-14(22-10-12)24-16(27-11-5-3-2-4-6-11)13(9-21)15(23-24)17(18,19)20/h7-8,10-11H,2-6H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179592
PNG
(5-isobutoxy-1-(5-(methylsulfonyl)pyridin-2-yl)-3-(...)
Show SMILES CC(C)COc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O3S/c1-9(2)8-25-14-11(6-19)13(15(16,17)18)21-22(14)12-5-4-10(7-20-12)26(3,23)24/h4-5,7,9H,8H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50176545
PNG
(3-(difluoromethyl)-5-((2R,6S)-2,6-dimethylmorpholi...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H19F2N5O3S/c1-10-8-23(9-11(2)27-10)17-13(6-20)15(16(18)19)22-24(17)14-5-4-12(7-21-14)28(3,25)26/h4-5,7,10-11,16H,8-9H2,1-3H3/t10-,11+
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179601
PNG
(5-(cyclohex-3-enylmethoxy)-1-(5-(methylsulfonyl)py...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCC=CC1)C(F)(F)F |c:24|
Show InChI InChI=1S/C18H17F3N4O3S/c1-29(26,27)13-7-8-15(23-10-13)25-17(28-11-12-5-3-2-4-6-12)14(9-22)16(24-25)18(19,20)21/h2-3,7-8,10,12H,4-6,11H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179595
PNG
(5-(3-methylcyclopentyloxy)-1-(5-(methylsulfonyl)py...)
Show SMILES CC1CCC(C1)Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O3S/c1-10-3-4-11(7-10)27-16-13(8-21)15(17(18,19)20)23-24(16)14-6-5-12(9-22-14)28(2,25)26/h5-6,9-11H,3-4,7H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179608
PNG
(5-(2-ethoxyethylthio)-1-(5-(methylsulfonyl)pyridin...)
Show SMILES CCOCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O3S2/c1-3-25-6-7-26-14-11(8-19)13(15(16,17)18)21-22(14)12-5-4-10(9-20-12)27(2,23)24/h4-5,9H,3,6-7H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179610
PNG
(5-(2-methylpentan-3-yloxy)-1-(5-(methylsulfonyl)py...)
Show SMILES CCC(Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F)C(C)C
Show InChI InChI=1S/C17H19F3N4O3S/c1-5-13(10(2)3)27-16-12(8-21)15(17(18,19)20)23-24(16)14-7-6-11(9-22-14)28(4,25)26/h6-7,9-10,13H,5H2,1-4H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179624
PNG
(5-(2,3-dimethylphenoxy)-1-(5-(methylsulfonyl)pyrid...)
Show SMILES Cc1cccc(Oc2c(C#N)c(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c1C
Show InChI InChI=1S/C19H15F3N4O3S/c1-11-5-4-6-15(12(11)2)29-18-14(9-23)17(19(20,21)22)25-26(18)16-8-7-13(10-24-16)30(3,27)28/h4-8,10H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179609
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(phenylthio)-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1Sc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N4O2S2/c1-28(25,26)12-7-8-14(22-10-12)24-16(27-11-5-3-2-4-6-11)13(9-21)15(23-24)17(18,19)20/h2-8,10H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179598
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(propylthio)-...)
Show SMILES CCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O2S2/c1-3-6-24-13-10(7-18)12(14(15,16)17)20-21(13)11-5-4-9(8-19-11)25(2,22)23/h4-5,8H,3,6H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179593
PNG
(5-(2-methylcyclohexyloxy)-1-(5-(methylsulfonyl)pyr...)
Show SMILES CC1CCCCC1Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-11-5-3-4-6-14(11)28-17-13(9-22)16(18(19,20)21)24-25(17)15-8-7-12(10-23-15)29(2,26)27/h7-8,10-11,14H,3-6H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179625
PNG
(5-(cyclopentyloxy)-1-(5-(methylsulfonyl)pyridin-2-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N4O3S/c1-27(24,25)11-6-7-13(21-9-11)23-15(26-10-4-2-3-5-10)12(8-20)14(22-23)16(17,18)19/h6-7,9-10H,2-5H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179628
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(pentylthio)-...)
Show SMILES CCCCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O2S2/c1-3-4-5-8-26-15-12(9-20)14(16(17,18)19)22-23(15)13-7-6-11(10-21-13)27(2,24)25/h6-7,10H,3-5,8H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179596
PNG
(5-(cyclopentylmethoxy)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OCC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O3S/c1-28(25,26)12-6-7-14(22-9-12)24-16(27-10-11-4-2-3-5-11)13(8-21)15(23-24)17(18,19)20/h6-7,9,11H,2-5,10H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179613
PNG
(5-(4-methylpentylthio)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CC(C)CCCSc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O2S2/c1-11(2)5-4-8-27-16-13(9-21)15(17(18,19)20)23-24(16)14-7-6-12(10-22-14)28(3,25)26/h6-7,10-11H,4-5,8H2,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50024426
PNG
(CHEMBL204252)
Show SMILES CCC(CC)Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S/c1-4-10(5-2)26-15-12(8-20)14(16(17,18)19)22-23(15)13-7-6-11(9-21-13)27(3,24)25/h6-7,9-10H,4-5H2,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179594
PNG
(5-(methylsulfonyl)-2-(5-(naphthalen-1-ylmethoxy)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OCc1cccc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3S/c1-31(28,29)16-9-10-19(25-12-16)27-20(11-18(26-27)21(22,23)24)30-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,13H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179597
PNG
(2-(5-(cyclopropylmethoxy)-3-(trifluoromethyl)-1H-p...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OCC1CC1)C(F)(F)F
Show InChI InChI=1S/C14H14F3N3O3S/c1-24(21,22)10-4-5-12(18-7-10)20-13(23-8-9-2-3-9)6-11(19-20)14(15,16)17/h4-7,9H,2-3,8H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179599
PNG
(2-(4-methyl-5-(pentan-3-yloxy)-3-(trifluoromethyl)...)
Show SMILES CCC(CC)Oc1c(C)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H20F3N3O3S/c1-5-11(6-2)25-15-10(3)14(16(17,18)19)21-22(15)13-8-7-12(9-20-13)26(4,23)24/h7-9,11H,5-6H2,1-4H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179603
PNG
(2-(5-(cyclopentyloxy)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OC1CCCC1)C(F)(F)F
Show InChI InChI=1S/C15H16F3N3O3S/c1-25(22,23)11-6-7-13(19-9-11)21-14(24-10-4-2-3-5-10)8-12(20-21)15(16,17)18/h6-10H,2-5H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179605
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(pentan-2-ylo...)
Show SMILES CCCC(C)Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S/c1-4-5-10(2)26-15-12(8-20)14(16(17,18)19)22-23(15)13-7-6-11(9-21-13)27(3,24)25/h6-7,9-10H,4-5H2,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179607
PNG
(2-(5-(benzyloxy)-3-(trifluoromethyl)-1H-pyrazol-1-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-27(24,25)13-7-8-15(21-10-13)23-16(9-14(22-23)17(18,19)20)26-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179612
PNG
(2-(5-butoxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5...)
Show SMILES CCCCOc1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3O3S/c1-3-4-7-23-13-8-11(14(15,16)17)19-20(13)12-6-5-10(9-18-12)24(2,21)22/h5-6,8-9H,3-4,7H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179614
PNG
(5-(methylsulfonyl)-2-(5-(pyridin-4-ylmethoxy)-3-(t...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OCc1ccncc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O3S/c1-27(24,25)12-2-3-14(21-9-12)23-15(8-13(22-23)16(17,18)19)26-10-11-4-6-20-7-5-11/h2-9H,10H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179617
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-(tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OC1CCOC1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O4S/c1-27(23,24)10-2-3-12(20-7-10)22-14(26-9-4-5-25-8-9)11(6-19)13(21-22)15(16,17)18/h2-3,7,9H,4-5,8H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179618
PNG
(2-(5-isobutoxy-4-methyl-3-(trifluoromethyl)-1H-pyr...)
Show SMILES CC(C)COc1c(C)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H18F3N3O3S/c1-9(2)8-24-14-10(3)13(15(16,17)18)20-21(14)12-6-5-11(7-19-12)25(4,22)23/h5-7,9H,8H2,1-4H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179619
PNG
(2-(5-isopropoxy-4-methyl-3-(trifluoromethyl)-1H-py...)
Show SMILES CC(C)Oc1c(C)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3O3S/c1-8(2)23-13-9(3)12(14(15,16)17)19-20(13)11-6-5-10(7-18-11)24(4,21)22/h5-8H,1-4H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179623
PNG
(5-(1-methoxybutan-2-yloxy)-1-(5-(methylsulfonyl)py...)
Show SMILES CCC(COC)Oc1c(C#N)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O4S/c1-4-10(9-26-2)27-15-12(7-20)14(16(17,18)19)22-23(15)13-6-5-11(8-21-13)28(3,24)25/h5-6,8,10H,4,9H2,1-3H3
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n/an/a>500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179626
PNG
(2-(5-(cyclohexyloxy)-3-(trifluoromethyl)-1H-pyrazo...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OC1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N3O3S/c1-26(23,24)12-7-8-14(20-10-12)22-15(9-13(21-22)16(17,18)19)25-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179629
PNG
(1-(5-(methylsulfonyl)pyridin-2-yl)-5-phenoxy-3-(tr...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H11F3N4O3S/c1-28(25,26)12-7-8-14(22-10-12)24-16(27-11-5-3-2-4-6-11)13(9-21)15(23-24)17(18,19)20/h2-8,10H,1H3
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n/an/a>500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179630
PNG
(2-(5-(3-fluorobenzyloxy)-3-(trifluoromethyl)-1H-py...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1OCc1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O3S/c1-28(25,26)13-5-6-15(22-9-13)24-16(8-14(23-24)17(19,20)21)27-10-11-3-2-4-12(18)7-11/h2-9H,10H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179633
PNG
(2-(4-chloro-5-isopropoxy-3-(trifluoromethyl)-1H-py...)
Show SMILES CC(C)Oc1c(Cl)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H13ClF3N3O3S/c1-7(2)23-12-10(14)11(13(15,16)17)19-20(12)9-5-4-8(6-18-9)24(3,21)22/h4-7H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179632
PNG
(2-(5-methoxy-3-(trifluoromethyl)-1H-pyrazol-1-yl)-...)
Show SMILES COc1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C11H10F3N3O3S/c1-20-10-5-8(11(12,13)14)16-17(10)9-4-3-7(6-15-9)21(2,18)19/h3-6H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179634
PNG
(2-(5-isopropoxy-3-(trifluoromethyl)-1H-pyrazol-1-y...)
Show SMILES CC(C)Oc1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3O3S/c1-8(2)22-12-6-10(13(14,15)16)18-19(12)11-5-4-9(7-17-11)23(3,20)21/h4-8H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50179622
PNG
(5-cyclobutoxy-1-(5-(methylsulfonyl)pyridin-2-yl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1OC1CCC1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N4O3S/c1-26(23,24)10-5-6-12(20-8-10)22-14(25-9-3-2-4-9)11(7-19)13(21-22)15(16,17)18/h5-6,8-9H,2-4H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179600
PNG
(5-(2-fluorobenzylthio)-1-(5-(methylsulfonyl)pyridi...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C18H12F4N4O2S2/c1-30(27,28)12-6-7-15(24-9-12)26-17(13(8-23)16(25-26)18(20,21)22)29-10-11-4-2-3-5-14(11)19/h2-7,9H,10H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50179616
PNG
(5-(benzylthio)-1-(5-(methylsulfonyl)pyridin-2-yl)-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(C#N)c1SCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2S2/c1-29(26,27)13-7-8-15(23-10-13)25-17(28-11-12-5-3-2-4-6-12)14(9-22)16(24-25)18(19,20)21/h2-8,10H,11H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 by canine whole blood assay


Bioorg Med Chem Lett 16: 1202-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.110
BindingDB Entry DOI: 10.7270/Q2FT8KKM
More data for this
Ligand-Target Pair
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