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PubMed code 21215625

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336012
PNG
(6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(Cl)cc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H9Cl2F3O3/c18-10-3-1-8(2-4-10)12-7-11(19)5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12/h1-7,15H,(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
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 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336018
PNG
(6-chloro-8-(3-fluoro-4-methylphenyl)-2-(trifluorom...)
Show SMILES Cc1ccc(cc1F)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15|
Show InChI InChI=1S/C18H11ClF4O3/c1-8-2-3-9(6-14(8)20)12-7-11(19)4-10-5-13(17(24)25)16(18(21,22)23)26-15(10)12/h2-7,16H,1H3,(H,24,25)
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336014
PNG
(6-chloro-8-(4-ethylphenyl)-2-(trifluoromethyl)-2H-...)
Show SMILES CCc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15|
Show InChI InChI=1S/C19H14ClF3O3/c1-2-10-3-5-11(6-4-10)14-9-13(20)7-12-8-15(18(24)25)17(19(21,22)23)26-16(12)14/h3-9,17H,2H2,1H3,(H,24,25)
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n/an/a 78n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336013
PNG
(6-chloro-8-p-tolyl-2-(trifluoromethyl)-2H-chromene...)
Show SMILES Cc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:14|
Show InChI InChI=1S/C18H12ClF3O3/c1-9-2-4-10(5-3-9)13-8-12(19)6-11-7-14(17(23)24)16(18(20,21)22)25-15(11)13/h2-8,16H,1H3,(H,23,24)
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n/an/a 103n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50331883
PNG
(6-chloro-8-phenyl-2-(trifluoromethyl)-2H-chromene-...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccccc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H10ClF3O3/c18-11-6-10-7-13(16(22)23)15(17(19,20)21)24-14(10)12(8-11)9-4-2-1-3-5-9/h1-8,15H,(H,22,23)
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n/an/a 188n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336012
PNG
(6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(Cl)cc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H9Cl2F3O3/c18-10-3-1-8(2-4-10)12-7-11(19)5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12/h1-7,15H,(H,23,24)
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n/an/a 242n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336016
PNG
(6-chloro-8-(4-(ethylthio)phenyl)-2-(trifluoromethy...)
Show SMILES CCSc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16|
Show InChI InChI=1S/C19H14ClF3O3S/c1-2-27-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)26-16(11)14/h3-9,17H,2H2,1H3,(H,24,25)
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n/an/a 242n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50331875
PNG
(6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-car...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50331875
PNG
(6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-car...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336019
PNG
(6-chloro-8-(4-methoxy-3-methylphenyl)-2-(trifluoro...)
Show SMILES COc1ccc(cc1C)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16|
Show InChI InChI=1S/C19H14ClF3O4/c1-9-5-10(3-4-15(9)26-2)13-8-12(20)6-11-7-14(18(24)25)17(19(21,22)23)27-16(11)13/h3-8,17H,1-2H3,(H,24,25)
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n/an/a 339n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336015
PNG
(6-chloro-8-(4-ethoxyphenyl)-2-(trifluoromethyl)-2H...)
Show SMILES CCOc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16|
Show InChI InChI=1S/C19H14ClF3O4/c1-2-26-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)27-16(11)14/h3-9,17H,2H2,1H3,(H,24,25)
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n/an/a 355n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336011
PNG
(6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H9ClF4O3/c18-10-5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12(7-10)8-1-3-11(19)4-2-8/h1-7,15H,(H,23,24)
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n/an/a 740n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50331885
PNG
(6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:17|
Show InChI InChI=1S/C17H11ClF3NO5S/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)27-14(9)12(7-10)8-1-3-11(4-2-8)28(22,25)26/h1-7,15H,(H,23,24)(H2,22,25,26)
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n/an/a 758n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336006
PNG
(8-(4-aminophenyl)-6-chloro-2-(trifluoromethyl)-2H-...)
Show SMILES Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:14|
Show InChI InChI=1S/C17H11ClF3NO3/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15H,22H2,(H,23,24)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50331883
PNG
(6-chloro-8-phenyl-2-(trifluoromethyl)-2H-chromene-...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccccc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H10ClF3O3/c18-11-6-10-7-13(16(22)23)15(17(19,20)21)24-14(10)12(8-11)9-4-2-1-3-5-9/h1-8,15H,(H,22,23)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336006
PNG
(8-(4-aminophenyl)-6-chloro-2-(trifluoromethyl)-2H-...)
Show SMILES Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:14|
Show InChI InChI=1S/C17H11ClF3NO3/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15H,22H2,(H,23,24)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336008
PNG
(6-chloro-8-(4-(hydroxymethyl)phenyl)-2-(trifluorom...)
Show SMILES OCc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15|
Show InChI InChI=1S/C18H12ClF3O4/c19-12-5-11-6-14(17(24)25)16(18(20,21)22)26-15(11)13(7-12)10-3-1-9(8-23)2-4-10/h1-7,16,23H,8H2,(H,24,25)
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n/an/a 2.44E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336009
PNG
(6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H10ClF3O4/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15,22H,(H,23,24)
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n/an/a 2.91E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336009
PNG
(6-chloro-8-(4-hydroxyphenyl)-2-(trifluoromethyl)-2...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H10ClF3O4/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)25-14(9)12(7-10)8-1-3-11(22)4-2-8/h1-7,15,22H,(H,23,24)
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n/an/a 3.48E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336005
PNG
(6-chloro-8-(4-(methylsulfonyl)phenyl)-2-(trifluoro...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:17|
Show InChI InChI=1S/C18H12ClF3O5S/c1-28(25,26)12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(23)24)16(18(20,21)22)27-15(10)13/h2-8,16H,1H3,(H,23,24)
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n/an/a 3.87E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336013
PNG
(6-chloro-8-p-tolyl-2-(trifluoromethyl)-2H-chromene...)
Show SMILES Cc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:14|
Show InChI InChI=1S/C18H12ClF3O3/c1-9-2-4-10(5-3-9)13-8-12(19)6-11-7-14(17(23)24)16(18(20,21)22)25-15(11)13/h2-8,16H,1H3,(H,23,24)
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n/an/a 4.34E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336008
PNG
(6-chloro-8-(4-(hydroxymethyl)phenyl)-2-(trifluorom...)
Show SMILES OCc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15|
Show InChI InChI=1S/C18H12ClF3O4/c19-12-5-11-6-14(17(24)25)16(18(20,21)22)26-15(11)13(7-12)10-3-1-9(8-23)2-4-10/h1-7,16,23H,8H2,(H,24,25)
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n/an/a 6.38E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336017
PNG
(6-chloro-8-(4-isobutylphenyl)-2-(trifluoromethyl)-...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:17|
Show InChI InChI=1S/C21H18ClF3O3/c1-11(2)7-12-3-5-13(6-4-12)16-10-15(22)8-14-9-17(20(26)27)19(21(23,24)25)28-18(14)16/h3-6,8-11,19H,7H2,1-2H3,(H,26,27)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
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 1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336014
PNG
(6-chloro-8-(4-ethylphenyl)-2-(trifluoromethyl)-2H-...)
Show SMILES CCc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15|
Show InChI InChI=1S/C19H14ClF3O3/c1-2-10-3-5-11(6-4-10)14-9-13(20)7-12-8-15(18(24)25)17(19(21,22)23)26-16(12)14/h3-9,17H,2H2,1H3,(H,24,25)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336005
PNG
(6-chloro-8-(4-(methylsulfonyl)phenyl)-2-(trifluoro...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:17|
Show InChI InChI=1S/C18H12ClF3O5S/c1-28(25,26)12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(23)24)16(18(20,21)22)27-15(10)13/h2-8,16H,1H3,(H,23,24)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336018
PNG
(6-chloro-8-(3-fluoro-4-methylphenyl)-2-(trifluorom...)
Show SMILES Cc1ccc(cc1F)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15|
Show InChI InChI=1S/C18H11ClF4O3/c1-8-2-3-9(6-14(8)20)12-7-11(19)4-10-5-13(17(24)25)16(18(21,22)23)26-15(10)12/h2-7,16H,1H3,(H,24,25)
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n/an/a 2.47E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336017
PNG
(6-chloro-8-(4-isobutylphenyl)-2-(trifluoromethyl)-...)
Show SMILES CC(C)Cc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:17|
Show InChI InChI=1S/C21H18ClF3O3/c1-11(2)7-12-3-5-13(6-4-12)16-10-15(22)8-14-9-17(20(26)27)19(21(23,24)25)28-18(14)16/h3-6,8-11,19H,7H2,1-2H3,(H,26,27)
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n/an/a 2.65E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50331875
PNG
(6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-car...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336015
PNG
(6-chloro-8-(4-ethoxyphenyl)-2-(trifluoromethyl)-2H...)
Show SMILES CCOc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16|
Show InChI InChI=1S/C19H14ClF3O4/c1-2-26-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)27-16(11)14/h3-9,17H,2H2,1H3,(H,24,25)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50331875
PNG
(6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-car...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C11H5Cl2F3O3/c12-5-1-4-2-6(10(17)18)9(11(14,15)16)19-8(4)7(13)3-5/h1-3,9H,(H,17,18)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336007
PNG
(6-chloro-8-(4-(methylsulfonamido)phenyl)-2-(triflu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:18|
Show InChI InChI=1S/C18H13ClF3NO5S/c1-29(26,27)23-12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(24)25)16(18(20,21)22)28-15(10)13/h2-8,16,23H,1H3,(H,24,25)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336016
PNG
(6-chloro-8-(4-(ethylthio)phenyl)-2-(trifluoromethy...)
Show SMILES CCSc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16|
Show InChI InChI=1S/C19H14ClF3O3S/c1-2-27-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)26-16(11)14/h3-9,17H,2H2,1H3,(H,24,25)
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n/an/a 7.59E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50331885
PNG
(6-chloro-8-(4-sulfamoylphenyl)-2-(trifluoromethyl)...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:17|
Show InChI InChI=1S/C17H11ClF3NO5S/c18-10-5-9-6-13(16(23)24)15(17(19,20)21)27-14(9)12(7-10)8-1-3-11(4-2-8)28(22,25)26/h1-7,15H,(H,23,24)(H2,22,25,26)
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n/an/a 9.14E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336019
PNG
(6-chloro-8-(4-methoxy-3-methylphenyl)-2-(trifluoro...)
Show SMILES COc1ccc(cc1C)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16|
Show InChI InChI=1S/C19H14ClF3O4/c1-9-5-10(3-4-15(9)26-2)13-8-12(20)6-11-7-14(18(24)25)17(19(21,22)23)27-16(11)13/h3-8,17H,1-2H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336007
PNG
(6-chloro-8-(4-(methylsulfonamido)phenyl)-2-(triflu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:18|
Show InChI InChI=1S/C18H13ClF3NO5S/c1-29(26,27)23-12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(24)25)16(18(20,21)22)28-15(10)13/h2-8,16,23H,1H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336010
PNG
(8-(4-carboxyphenyl)-6-chloro-2-(trifluoromethyl)-2...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(cc3)C(O)=O)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C18H10ClF3O5/c19-11-5-10-6-13(17(25)26)15(18(20,21)22)27-14(10)12(7-11)8-1-3-9(4-2-8)16(23)24/h1-7,15H,(H,23,24)(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336010
PNG
(8-(4-carboxyphenyl)-6-chloro-2-(trifluoromethyl)-2...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(cc3)C(O)=O)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C18H10ClF3O5/c19-11-5-10-6-13(17(25)26)15(18(20,21)22)27-14(10)12(7-11)8-1-3-9(4-2-8)16(23)24/h1-7,15H,(H,23,24)(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50336011
PNG
(6-chloro-8-(4-fluorophenyl)-2-(trifluoromethyl)-2H...)
Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2OC1C(F)(F)F |t:3|
Show InChI InChI=1S/C17H9ClF4O3/c18-10-5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12(7-10)8-1-3-11(19)4-2-8/h1-7,15H,(H,23,24)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%