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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50017454   
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)
BDBM50182352
PNG
(2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(difluorome...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)F
Show InChI InChI=1S/C20H14ClF2N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3
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n/an/a 10n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182338
PNG
(2-(5-(4-(furan-2-yl)-3-methylphenyl)-3-(trifluorom...)
Show SMILES Cc1cc(ccc1-c1ccco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)20-8-6-15(12-25-20)31(2,28)29/h3-12H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182347
PNG
(2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF3N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3
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n/an/a 12n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182339
PNG
(2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C21H13F3N4O3S/c1-32(29,30)15-5-7-20(26-12-15)28-17(10-19(27-28)21(22,23)24)13-4-6-16(14(9-13)11-25)18-3-2-8-31-18/h2-10,12H,1H3
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n/an/a 13n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182353
PNG
(2-(3-(difluoromethyl)-5-(3-methyl-4-(thiazol-4-yl)...)
Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182332
PNG
(2-(5-(4-(furan-2-yl)phenyl)-3-(trifluoromethyl)-1H...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1ccco1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)15-8-9-19(24-12-15)26-16(11-18(25-26)20(21,22)23)13-4-6-14(7-5-13)17-3-2-10-29-17/h2-12H,1H3
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n/an/a 20n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182345
PNG
(2-(5-(3-methyl-4-(oxazol-4-yl)phenyl)-3-(trifluoro...)
Show SMILES Cc1cc(ccc1-c1cocn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O3S/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182335
PNG
(2-(5-(3-fluoro-4-(furan-2-yl)phenyl)-3-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H13F4N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3
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n/an/a 50n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182351
PNG
(2-(5-(3-chloro-4-(thiazol-4-yl)phenyl)-3-(trifluor...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2cscn2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3
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n/an/a<50n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182334
PNG
(2-(3-(difluoromethyl)-5-(3-fluoro-4-(furan-2-yl)ph...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)F
Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3
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n/an/a 60n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182346
PNG
(2-(5-(3-methyl-4-(oxazol-2-yl)phenyl)-3-(trifluoro...)
Show SMILES Cc1cc(ccc1-c1ncco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O3S/c1-12-9-13(3-5-15(12)19-24-7-8-30-19)16-10-17(20(21,22)23)26-27(16)18-6-4-14(11-25-18)31(2,28)29/h3-11H,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182333
PNG
(2-(5-(3-methyl-4-(thiazol-4-yl)phenyl)-3-(trifluor...)
Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O2S2/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3
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n/an/a 90n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182340
PNG
(5-(1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoro...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2nccs2)c(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C20H12F3N5O2S2/c1-32(29,30)14-3-5-18(26-11-14)28-16(9-17(27-28)20(21,22)23)12-2-4-15(13(8-12)10-24)19-25-6-7-31-19/h2-9,11H,1H3
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n/an/a 110n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182343
PNG
(2-(3-(difluoromethyl)-5-(4-(furan-2-yl)phenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1ccco1)C(F)F
Show InChI InChI=1S/C20H15F2N3O3S/c1-29(26,27)15-8-9-19(23-12-15)25-17(11-16(24-25)20(21)22)13-4-6-14(7-5-13)18-3-2-10-28-18/h2-12,20H,1H3
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n/an/a 130n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182342
PNG
(5-(methylsulfonyl)-2-(5-(4-(thiazol-4-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-18(23-9-14)26-16(8-17(25-26)19(20,21)22)13-4-2-12(3-5-13)15-10-29-11-24-15/h2-11H,1H3
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n/an/a 160n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182349
PNG
(5-(methylsulfonyl)-2-(5-(4-(thiazol-5-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1cncs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-18(24-9-14)26-15(8-17(25-26)19(20,21)22)12-2-4-13(5-3-12)16-10-23-11-29-16/h2-11H,1H3
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n/an/a 180n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182336
PNG
(5-(methylsulfonyl)-2-(5-(4-(thiazol-2-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-17(24-11-14)26-15(10-16(25-26)19(20,21)22)12-2-4-13(5-3-12)18-23-8-9-29-18/h2-11H,1H3
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n/an/a 210n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182337
PNG
(2-(5-(2-fluoro-4-(thiazol-4-yl)phenyl)-3-(trifluor...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1F)-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)13-4-2-11(6-14(13)20)15-9-30-10-25-15/h2-10H,1H3
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n/an/a 290n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182350
PNG
(2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4O4S/c1-33(30,31)13-5-7-19(26-11-13)28-16(10-18(27-28)21(22,23)24)12-4-6-14(15(9-12)20(25)29)17-3-2-8-32-17/h2-11H,1H3,(H2,25,29)
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Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182348
PNG
(5-(methylsulfonyl)-2-(5-(4-(5-methylthiazol-4-yl)p...)
Show SMILES Cc1scnc1-c1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O2S2/c1-12-19(25-11-30-12)14-5-3-13(4-6-14)16-9-17(20(21,22)23)26-27(16)18-8-7-15(10-24-18)31(2,28)29/h3-11H,1-2H3
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n/an/a>500n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182341
PNG
(CHEMBL383470 | methyl 2-(furan-2-yl)-5-(1-(5-(meth...)
Show SMILES COC(=O)c1cc(ccc1-c1ccco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O5S/c1-32-21(29)16-10-13(5-7-15(16)18-4-3-9-33-18)17-11-19(22(23,24)25)27-28(17)20-8-6-14(12-26-20)34(2,30)31/h3-12H,1-2H3
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n/an/a>500n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Canis familiaris)
BDBM50182344
PNG
(5-(methylsulfonyl)-2-(5-(3-(thiazol-4-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1cccc(c1)-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-5-6-18(23-9-14)26-16(8-17(25-26)19(20,21)22)13-4-2-3-12(7-13)15-10-29-11-24-15/h2-11H,1H3
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n/an/a>500n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182339
PNG
(2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C21H13F3N4O3S/c1-32(29,30)15-5-7-20(26-12-15)28-17(10-19(27-28)21(22,23)24)13-4-6-16(14(9-13)11-25)18-3-2-8-31-18/h2-10,12H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182350
PNG
(2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H15F3N4O4S/c1-33(30,31)13-5-7-19(26-11-13)28-16(10-18(27-28)21(22,23)24)12-4-6-14(15(9-12)20(25)29)17-3-2-8-32-17/h2-11H,1H3,(H2,25,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182349
PNG
(5-(methylsulfonyl)-2-(5-(4-(thiazol-5-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1cncs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-18(24-9-14)26-15(8-17(25-26)19(20,21)22)12-2-4-13(5-3-12)16-10-23-11-29-16/h2-11H,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182338
PNG
(2-(5-(4-(furan-2-yl)-3-methylphenyl)-3-(trifluorom...)
Show SMILES Cc1cc(ccc1-c1ccco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)20-8-6-15(12-25-20)31(2,28)29/h3-12H,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182353
PNG
(2-(3-(difluoromethyl)-5-(3-methyl-4-(thiazol-4-yl)...)
Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C20H16F2N4O2S2/c1-12-7-13(3-5-15(12)17-10-29-11-24-17)18-8-16(20(21)22)25-26(18)19-6-4-14(9-23-19)30(2,27)28/h3-11,20H,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182334
PNG
(2-(3-(difluoromethyl)-5-(3-fluoro-4-(furan-2-yl)ph...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)F
Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182352
PNG
(2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(difluorome...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)F
Show InChI InChI=1S/C20H14ClF2N3O3S/c1-30(27,28)13-5-7-19(24-11-13)26-17(10-16(25-26)20(22)23)12-4-6-14(15(21)9-12)18-3-2-8-29-18/h2-11,20H,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182346
PNG
(2-(5-(3-methyl-4-(oxazol-2-yl)phenyl)-3-(trifluoro...)
Show SMILES Cc1cc(ccc1-c1ncco1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O3S/c1-12-9-13(3-5-15(12)19-24-7-8-30-19)16-10-17(20(21,22)23)26-27(16)18-6-4-14(11-25-18)31(2,28)29/h3-11H,1-2H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182343
PNG
(2-(3-(difluoromethyl)-5-(4-(furan-2-yl)phenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1ccco1)C(F)F
Show InChI InChI=1S/C20H15F2N3O3S/c1-29(26,27)15-8-9-19(23-12-15)25-17(11-16(24-25)20(21)22)13-4-6-14(7-5-13)18-3-2-10-28-18/h2-12,20H,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182345
PNG
(2-(5-(3-methyl-4-(oxazol-4-yl)phenyl)-3-(trifluoro...)
Show SMILES Cc1cc(ccc1-c1cocn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O3S/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182333
PNG
(2-(5-(3-methyl-4-(thiazol-4-yl)phenyl)-3-(trifluor...)
Show SMILES Cc1cc(ccc1-c1cscn1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O2S2/c1-12-7-13(3-5-15(12)16-10-30-11-25-16)17-8-18(20(21,22)23)26-27(17)19-6-4-14(9-24-19)31(2,28)29/h3-11H,1-2H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182351
PNG
(2-(5-(3-chloro-4-(thiazol-4-yl)phenyl)-3-(trifluor...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2cscn2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C19H12ClF3N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)11-2-4-13(14(20)6-11)15-9-30-10-25-15/h2-10H,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182332
PNG
(2-(5-(4-(furan-2-yl)phenyl)-3-(trifluoromethyl)-1H...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1ccco1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O3S/c1-30(27,28)15-8-9-19(24-12-15)26-16(11-18(25-26)20(21,22)23)13-4-6-14(7-5-13)17-3-2-10-29-17/h2-12H,1H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182337
PNG
(2-(5-(2-fluoro-4-(thiazol-4-yl)phenyl)-3-(trifluor...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1F)-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4O2S2/c1-31(28,29)12-3-5-18(24-8-12)27-16(7-17(26-27)19(21,22)23)13-4-2-11(6-14(13)20)15-9-30-10-25-15/h2-10H,1H3
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n/an/a 2.27E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182340
PNG
(5-(1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoro...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2nccs2)c(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C20H12F3N5O2S2/c1-32(29,30)14-3-5-18(26-11-14)28-16(9-17(27-28)20(21,22)23)12-2-4-15(13(8-12)10-24)19-25-6-7-31-19/h2-9,11H,1H3
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n/an/a 2.34E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182335
PNG
(2-(5-(3-fluoro-4-(furan-2-yl)phenyl)-3-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H13F4N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3
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n/an/a 2.79E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182336
PNG
(5-(methylsulfonyl)-2-(5-(4-(thiazol-2-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-17(24-11-14)26-15(10-16(25-26)19(20,21)22)12-2-4-13(5-3-12)18-23-8-9-29-18/h2-11H,1H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182347
PNG
(2-(5-(3-chloro-4-(furan-2-yl)phenyl)-3-(trifluorom...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(-c2ccco2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C20H13ClF3N3O3S/c1-31(28,29)13-5-7-19(25-11-13)27-16(10-18(26-27)20(22,23)24)12-4-6-14(15(21)9-12)17-3-2-8-30-17/h2-11H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Canis familiaris)
BDBM50182342
PNG
(5-(methylsulfonyl)-2-(5-(4-(thiazol-4-yl)phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(cc1)-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4O2S2/c1-30(27,28)14-6-7-18(23-9-14)26-16(8-17(25-26)19(20,21)22)13-4-2-12(3-5-13)15-10-29-11-24-15/h2-11H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Veterinary Medicine Research and Development Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1 in canine whole blood


Bioorg Med Chem Lett 16: 2076-80 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.059
BindingDB Entry DOI: 10.7270/Q28K78PW
More data for this
Ligand-Target Pair