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PubMed code 20144869

Compile data set for download or QSAR
Found 90 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 E synthase


(Homo sapiens (Human))		BDBM50271083
PNG
(5-(5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol...)
Show SMILES Fc1cccc(Cl)c1-c1nc(c(Br)[nH]1)-c1ccc(nc1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of mPGES1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))		BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of FLAP

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313223
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)24-23(27)21-22(26)19-5-3-4-6-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a<26n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313206
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-6-3-5-14(18(16)23)12-8-10-13(11-9-12)24-21(27)19-20(26)15-4-1-2-7-17(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313207
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-13-7-10-15(17(23)11-13)12-5-8-14(9-6-12)24-21(27)19-20(26)16-3-1-2-4-18(16)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 43n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313224
PNG
(5-(4-tert-butylphenyl)-1-(4-isopropoxyphenyl)-1H-i...)
Show SMILES CC(C)Oc1ccc(cc1)-n1c(cc2cc(ccc12)-c1ccc(cc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C28H29NO3/c1-18(2)32-24-13-11-23(12-14-24)29-25-15-8-20(16-21(25)17-26(29)27(30)31)19-6-9-22(10-7-19)28(3,4)5/h6-18H,1-5H3,(H,30,31)
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n/an/a 62n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50168761
PNG
(3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C33H29ClFNO2/c1-21-28-17-24(25-11-15-27(29(35)18-25)23-7-5-4-6-8-23)12-16-30(28)36(20-22-9-13-26(34)14-10-22)31(21)19-33(2,3)32(37)38/h4-18H,19-20H2,1-3H3,(H,37,38)
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n/an/a 62n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313222
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:15|
Show InChI InChI=1S/C22H18N2O4S/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-22(26)20-21(25)18-4-2-3-5-19(18)29(27,28)24-20/h2-13,24-25H,1H3,(H,23,26)
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n/an/a<70n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313215
PNG
(4,6-Dihydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-ben...)
Show SMILES OC1=C(NS(=O)(=O)c2ccc(O)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O5S/c22-16-7-3-12(9-17(16)23)11-1-4-13(5-2-11)24-21(28)19-20(27)15-10-14(26)6-8-18(15)31(29,30)25-19/h1-10,25-27H,(H,24,28)
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n/an/a 98n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313196
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 |t:1|
Show InChI InChI=1S/C23H18Cl2N2O4S/c24-18-12-9-15(13-19(18)25)6-5-14-7-10-16(11-8-14)26-23(29)21-22(28)17-3-1-2-4-20(17)32(30,31)27-21/h1-4,7-13,27-28H,5-6H2,(H,26,29)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313200
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H14Cl2N2O5S/c23-13-7-5-12(6-8-13)20(27)15-10-9-14(11-17(15)24)25-22(29)19-21(28)16-3-1-2-4-18(16)32(30,31)26-19/h1-11,26,28H,(H,25,29)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313199
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(Nc2ccc(Cl)cc2)cc1 |t:1|
Show InChI InChI=1S/C21H16ClN3O4S/c22-13-5-7-14(8-6-13)23-15-9-11-16(12-10-15)24-21(27)19-20(26)17-3-1-2-4-18(17)30(28,29)25-19/h1-12,23,25-26H,(H,24,27)
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n/an/a 150n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313210
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(nc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C20H13Cl2N3O4S/c21-14-7-5-11(9-15(14)22)16-8-6-12(10-23-16)24-20(27)18-19(26)13-3-1-2-4-17(13)30(28,29)25-18/h1-10,25-26H,(H,24,27)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313217
PNG
(4,7-Dihydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-ben...)
Show SMILES OC1=C(NS(=O)(=O)c2cc(O)ccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O5S/c22-16-8-3-12(9-17(16)23)11-1-4-13(5-2-11)24-21(28)19-20(27)15-7-6-14(26)10-18(15)31(29,30)25-19/h1-10,25-27H,(H,24,28)
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313219
PNG
(4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...)
Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)
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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313218
PNG
(4-Hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6...)
Show SMILES CN1C(C(=O)Nc2ccc(cc2)-c2ccc(Cl)c(Cl)c2)=C(O)c2ccccc2S1(=O)=O |t:21|
Show InChI InChI=1S/C22H16Cl2N2O4S/c1-26-20(21(27)16-4-2-3-5-19(16)31(26,29)30)22(28)25-15-9-6-13(7-10-15)14-8-11-17(23)18(24)12-14/h2-12,27H,1H3,(H,25,28)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313197
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C21H15ClN2O4S/c22-15-9-5-13(6-10-15)14-7-11-16(12-8-14)23-21(26)19-20(25)17-3-1-2-4-18(17)29(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 290n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50270594
PNG
(4-(3-chlorobenzyl)-2,6-bis(4-(trifluoromethoxy)phe...)
Show SMILES OC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)c2sc(cc2n1Cc1cccc(Cl)c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H16ClF6NO4S/c29-18-3-1-2-15(12-18)14-36-21-13-22(16-4-8-19(9-5-16)39-27(30,31)32)41-25(21)23(24(36)26(37)38)17-6-10-20(11-7-17)40-28(33,34)35/h1-13H,14H2,(H,37,38)
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n/an/a 390n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of mPGES1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 420n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313196
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 |t:1|
Show InChI InChI=1S/C23H18Cl2N2O4S/c24-18-12-9-15(13-19(18)25)6-5-14-7-10-16(11-8-14)26-23(29)21-22(28)17-3-1-2-4-20(17)32(30,31)27-21/h1-4,7-13,27-28H,5-6H2,(H,26,29)
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n/an/a 460n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 500n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta-stimulated human RASF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313198
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 |t:1|
Show InChI InChI=1S/C21H15ClN2O5S/c22-13-5-9-15(10-6-13)29-16-11-7-14(8-12-16)23-21(26)19-20(25)17-3-1-2-4-18(17)30(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 530n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313219
PNG
(4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...)
Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)
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n/an/a 670n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313214
PNG
(4-Hydroxy-6-methoxy-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES COc1ccc2c(c1)C(O)=C(NS2(=O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |c:10|
Show InChI InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-9-19-16(11-15)21(27)20(26-32(19,29)30)22(28)25-14-5-2-12(3-6-14)13-4-8-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
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n/an/a 690n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313210
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(nc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C20H13Cl2N3O4S/c21-14-7-5-11(9-15(14)22)16-8-6-12(10-23-16)24-20(27)18-19(26)13-3-1-2-4-17(13)30(28,29)25-18/h1-10,25-26H,(H,24,27)
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n/an/a 690n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313223
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)24-23(27)21-22(26)19-5-3-4-6-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a<750n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313207
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-13-7-10-15(17(23)11-13)12-5-8-14(9-6-12)24-21(27)19-20(26)16-3-1-2-4-18(16)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a<760n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313202
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1 |t:1|
Show InChI InChI=1S/C21H15ClN2O4S/c22-15-5-3-4-14(12-15)13-8-10-16(11-9-13)23-21(26)19-20(25)17-6-1-2-7-18(17)29(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 860n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313206
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-6-3-5-14(18(16)23)12-8-10-13(11-9-12)24-21(27)19-20(26)15-4-1-2-7-17(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a<920n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313208
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1cccc(c1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-6-5-8-18(15(14)2)16-10-12-17(13-11-16)24-23(27)21-22(26)19-7-3-4-9-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50270616
PNG
(7-hydroxy-N1,N3-dimesitylnaphthalene-1,3-disulfona...)
Show SMILES Cc1cc(C)c(NS(=O)(=O)c2cc(c3cc(O)ccc3c2)S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1
Show InChI InChI=1S/C28H30N2O5S2/c1-16-9-18(3)27(19(4)10-16)29-36(32,33)24-13-22-7-8-23(31)14-25(22)26(15-24)37(34,35)30-28-20(5)11-17(2)12-21(28)6/h7-15,29-31H,1-6H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of mPGES1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313200
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H14Cl2N2O5S/c23-13-7-5-12(6-8-13)20(27)15-10-9-14(11-17(15)24)25-22(29)19-21(28)16-3-1-2-4-18(16)32(30,31)26-19/h1-11,26,28H,(H,25,29)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313214
PNG
(4-Hydroxy-6-methoxy-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES COc1ccc2c(c1)C(O)=C(NS2(=O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |c:10|
Show InChI InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-9-19-16(11-15)21(27)20(26-32(19,29)30)22(28)25-14-5-2-12(3-6-14)13-4-8-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50270615
PNG
(CHEMBL521286 | N-(4-chloro-3-(5-methylbenzo[d]oxaz...)
Show SMILES Cc1ccc2oc(nc2c1)-c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C22H14ClF3N2O2/c1-12-6-9-19-18(10-12)28-21(30-19)15-11-13(7-8-17(15)23)27-20(29)14-4-2-3-5-16(14)22(24,25)26/h2-11H,1H3,(H,27,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of mPGES1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313215
PNG
(4,6-Dihydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-ben...)
Show SMILES OC1=C(NS(=O)(=O)c2ccc(O)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O5S/c22-16-7-3-12(9-17(16)23)11-1-4-13(5-2-11)24-21(28)19-20(27)15-10-14(26)6-8-18(15)31(29,30)25-19/h1-10,25-27H,(H,24,28)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313197
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C21H15ClN2O4S/c22-15-9-5-13(6-10-15)14-7-11-16(12-8-14)23-21(26)19-20(25)17-3-1-2-4-18(17)29(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313225
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...)
Show SMILES Clc1ccc(CCc2ccccc2NC(=O)C2CS(=O)(=O)c3ccccc3C2=O)cc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-19-12-10-15(13-20(19)26)9-11-16-5-1-3-7-21(16)27-24(29)18-14-32(30,31)22-8-4-2-6-17(22)23(18)28/h1-8,10,12-13,18H,9,11,14H2,(H,27,29)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313218
PNG
(4-Hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda*6...)
Show SMILES CN1C(C(=O)Nc2ccc(cc2)-c2ccc(Cl)c(Cl)c2)=C(O)c2ccccc2S1(=O)=O |t:21|
Show InChI InChI=1S/C22H16Cl2N2O4S/c1-26-20(21(27)16-4-2-3-5-19(16)31(26,29)30)22(28)25-15-9-6-13(7-10-15)14-8-11-17(23)18(24)12-14/h2-12,27H,1H3,(H,25,28)
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n/an/a 2.04E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313201
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1cccc(c1)C(=O)c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C22H15ClN2O5S/c23-15-10-8-13(9-11-15)20(26)14-4-3-5-16(12-14)24-22(28)19-21(27)17-6-1-2-7-18(17)31(29,30)25-19/h1-12,25,27H,(H,24,28)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313222
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:15|
Show InChI InChI=1S/C22H18N2O4S/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-22(26)20-21(25)18-4-2-3-5-19(18)29(27,28)24-20/h2-13,24-25H,1H3,(H,23,26)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313216
PNG
(4-Hydroxy-7-methoxy-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES COc1ccc2C(O)=C(NS(=O)(=O)c2c1)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-8-16-19(11-15)32(29,30)26-20(21(16)27)22(28)25-14-5-2-12(3-6-14)13-4-9-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313204
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C21H16N2O4S/c24-20-17-8-4-5-9-18(17)28(26,27)23-19(20)21(25)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,23-24H,(H,22,25)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313225
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...)
Show SMILES Clc1ccc(CCc2ccccc2NC(=O)C2CS(=O)(=O)c3ccccc3C2=O)cc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-19-12-10-15(13-20(19)26)9-11-16-5-1-3-7-21(16)27-24(29)18-14-32(30,31)22-8-4-2-6-17(22)23(18)28/h1-8,10,12-13,18H,9,11,14H2,(H,27,29)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313202
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1 |t:1|
Show InChI InChI=1S/C21H15ClN2O4S/c22-15-5-3-4-14(12-15)13-8-10-16(11-9-13)23-21(26)19-20(25)17-6-1-2-7-18(17)29(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 3.44E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313201
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1cccc(c1)C(=O)c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C22H15ClN2O5S/c23-15-10-8-13(9-11-15)20(26)14-4-3-5-16(12-14)24-22(28)19-21(27)17-6-1-2-7-18(17)31(29,30)25-19/h1-12,25,27H,(H,24,28)
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n/an/a 3.91E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313203
PNG
(CHEMBL1087266 | N-(4'-cyano-1,1'-biphenyl-4-yl)-4-...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(cc1)C#N |t:1|
Show InChI InChI=1S/C22H15N3O4S/c23-13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)24-22(27)20-21(26)18-3-1-2-4-19(18)30(28,29)25-20/h1-12,25-26H,(H,24,27)
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n/an/a 3.96E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313199
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(Nc2ccc(Cl)cc2)cc1 |t:1|
Show InChI InChI=1S/C21H16ClN3O4S/c22-13-5-7-14(8-6-13)23-15-9-11-16(12-10-15)24-21(27)19-20(26)17-3-1-2-4-18(17)30(28,29)25-19/h1-12,23,25-26H,(H,24,27)
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n/an/a 4.24E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in LPS-stimulated human whole blood assessed as PGE2 level after 24 hrs by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313220
PNG
(2-{[(3',4'-Dichloro-biphenyl-4-ylcarbamoyl)-methyl...)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-17-10-7-14(11-18(17)23)13-5-8-15(9-6-13)25-20(26)12-24-31(29,30)19-4-2-1-3-16(19)21(27)28/h1-11,24H,12H2,(H,25,26)(H,27,28)
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n/an/a 5.76E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313208
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1cccc(c1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-6-5-8-18(15(14)2)16-10-12-17(13-11-16)24-23(27)21-22(26)19-7-3-4-9-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a 6.59E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313198
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 |t:1|
Show InChI InChI=1S/C21H15ClN2O5S/c22-13-5-9-15(10-6-13)29-16-11-7-14(8-12-16)23-21(26)19-20(25)17-3-1-2-4-18(17)30(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 6.73E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313204
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C21H16N2O4S/c24-20-17-8-4-5-9-18(17)28(26,27)23-19(20)21(25)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,23-24H,(H,22,25)
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n/an/a 6.73E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313213
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cn1)-c1ccc(Cl)cc1Cl |t:1|
Show InChI InChI=1S/C20H13Cl2N3O4S/c21-12-6-7-13(15(22)9-12)11-5-8-17(23-10-11)24-20(27)18-19(26)14-3-1-2-4-16(14)30(28,29)25-18/h1-10,25-26H,(H,23,24,27)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313211
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)nc1 |t:1|
Show InChI InChI=1S/C20H14ClN3O4S/c21-17-10-7-13(11-22-17)12-5-8-14(9-6-12)23-20(26)18-19(25)15-3-1-2-4-16(15)29(27,28)24-18/h1-11,24-25H,(H,23,26)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313221
PNG
(CHEMBL1076568 | N-(3',4'-Dichloro-biphenyl-4-yl)-2...)
Show SMILES OCc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl2N2O4S/c22-18-10-7-15(11-19(18)23)14-5-8-17(9-6-14)25-21(27)12-24-30(28,29)20-4-2-1-3-16(20)13-26/h1-11,24,26H,12-13H2,(H,25,27)
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n/an/a 2.96E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313209
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES COc1ccc(cc1OC)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:18|
Show InChI InChI=1S/C23H20N2O6S/c1-30-18-12-9-15(13-19(18)31-2)14-7-10-16(11-8-14)24-23(27)21-22(26)17-5-3-4-6-20(17)32(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a 3.22E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313210
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(nc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C20H13Cl2N3O4S/c21-14-7-5-11(9-15(14)22)16-8-6-12(10-23-16)24-20(27)18-19(26)13-3-1-2-4-17(13)30(28,29)25-18/h1-10,25-26H,(H,24,27)
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n/an/a 3.37E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313197
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C21H15ClN2O4S/c22-15-9-5-13(6-10-15)14-7-11-16(12-8-14)23-21(26)19-20(25)17-3-1-2-4-18(17)29(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 3.37E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313220
PNG
(2-{[(3',4'-Dichloro-biphenyl-4-ylcarbamoyl)-methyl...)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-17-10-7-14(11-18(17)23)13-5-8-15(9-6-13)25-20(26)12-24-31(29,30)19-4-2-1-3-16(19)21(27)28/h1-11,24H,12H2,(H,25,26)(H,27,28)
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n/an/a 3.76E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313206
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-6-3-5-14(18(16)23)12-8-10-13(11-9-12)24-21(27)19-20(26)15-4-1-2-7-17(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 4.44E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313219
PNG
(4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...)
Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50313219
PNG
(4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...)
Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313223
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-7-8-17(13-15(14)2)16-9-11-18(12-10-16)24-23(27)21-22(26)19-5-3-4-6-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a>5.77E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50313212
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cn1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C20H13Cl2N3O4S/c21-14-7-5-11(9-15(14)22)12-6-8-17(23-10-12)24-20(27)18-19(26)13-3-1-2-4-16(13)30(28,29)25-18/h1-10,25-26H,(H,23,24,27)
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n/an/a 6.56E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313196
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 |t:1|
Show InChI InChI=1S/C23H18Cl2N2O4S/c24-18-12-9-15(13-19(18)25)6-5-14-7-10-16(11-8-14)26-23(29)21-22(28)17-3-1-2-4-20(17)32(30,31)27-21/h1-4,7-13,27-28H,5-6H2,(H,26,29)
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n/an/a>6.80E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313198
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 |t:1|
Show InChI InChI=1S/C21H15ClN2O5S/c22-13-5-9-15(10-6-13)29-16-11-7-14(8-12-16)23-21(26)19-20(25)17-3-1-2-4-18(17)30(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313202
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1 |t:1|
Show InChI InChI=1S/C21H15ClN2O4S/c22-15-5-3-4-14(12-15)13-8-10-16(11-9-13)23-21(26)19-20(25)17-6-1-2-7-18(17)29(27,28)24-19/h1-12,24-25H,(H,23,26)
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n/an/a 7.47E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313207
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)cc1Cl |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-13-7-10-15(17(23)11-13)12-5-8-14(9-6-12)24-21(27)19-20(26)16-3-1-2-4-18(16)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a>7.48E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313225
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochr...)
Show SMILES Clc1ccc(CCc2ccccc2NC(=O)C2CS(=O)(=O)c3ccccc3C2=O)cc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-19-12-10-15(13-20(19)26)9-11-16-5-1-3-7-21(16)27-24(29)18-14-32(30,31)22-8-4-2-6-17(22)23(18)28/h1-8,10,12-13,18H,9,11,14H2,(H,27,29)
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n/an/a>9.00E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313204
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C21H16N2O4S/c24-20-17-8-4-5-9-18(17)28(26,27)23-19(20)21(25)22-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,23-24H,(H,22,25)
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n/an/a 9.26E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313208
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1cccc(c1C)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:16|
Show InChI InChI=1S/C23H20N2O4S/c1-14-6-5-8-18(15(14)2)16-10-12-17(13-11-16)24-23(27)21-22(26)19-7-3-4-9-20(19)30(28,29)25-21/h3-13,25-26H,1-2H3,(H,24,27)
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n/an/a 9.47E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313201
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1cccc(c1)C(=O)c1ccc(Cl)cc1 |t:1|
Show InChI InChI=1S/C22H15ClN2O5S/c23-15-10-8-13(9-11-15)20(26)14-4-3-5-16(12-14)24-22(28)19-21(27)17-6-1-2-7-18(17)31(29,30)25-19/h1-12,25,27H,(H,24,28)
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n/an/a 9.53E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313200
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1 |t:1|
Show InChI InChI=1S/C22H14Cl2N2O5S/c23-13-7-5-12(6-8-13)20(27)15-10-9-14(11-17(15)24)25-22(29)19-21(28)16-3-1-2-4-18(16)32(30,31)26-19/h1-11,26,28H,(H,25,29)
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n/an/a 9.56E+4n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human thromboxane A synthase in IL-1-beta-stimulated human RASF cells assessed as TXB2 levels after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313222
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES Cc1ccc(cc1)-c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 |c:15|
Show InChI InChI=1S/C22H18N2O4S/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)23-22(26)20-21(25)18-4-2-3-5-19(18)29(27,28)24-20/h2-13,24-25H,1H3,(H,23,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313215
PNG
(4,6-Dihydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-ben...)
Show SMILES OC1=C(NS(=O)(=O)c2ccc(O)cc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O5S/c22-16-7-3-12(9-17(16)23)11-1-4-13(5-2-11)24-21(28)19-20(27)15-10-14(26)6-8-18(15)31(29,30)25-19/h1-10,25-27H,(H,24,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313220
PNG
(2-{[(3',4'-Dichloro-biphenyl-4-ylcarbamoyl)-methyl...)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-17-10-7-14(11-18(17)23)13-5-8-15(9-6-13)25-20(26)12-24-31(29,30)19-4-2-1-3-16(19)21(27)28/h1-11,24H,12H2,(H,25,26)(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313199
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(Nc2ccc(Cl)cc2)cc1 |t:1|
Show InChI InChI=1S/C21H16ClN3O4S/c22-13-5-7-14(8-6-13)23-15-9-11-16(12-10-15)24-21(27)19-20(26)17-3-1-2-4-18(17)30(28,29)25-19/h1-12,23,25-26H,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostacyclin synthase


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human prostacyclin synthase in IL-1-beta-stimulated human RASF cells assessed as PGF1alpha levels after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313219
PNG
(4-Hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-...)
Show SMILES OC1C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,19-20,25-26H,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1-beta-stimulated human RASF cells assessed as PGF2alpha levels after 50 mins by ELISA

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313214
PNG
(4-Hydroxy-6-methoxy-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES COc1ccc2c(c1)C(O)=C(NS2(=O)=O)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |c:10|
Show InChI InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-9-19-16(11-15)21(27)20(26-32(19,29)30)22(28)25-14-5-2-12(3-6-14)13-4-8-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELIS...

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 1.18E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313205
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |t:1|
Show InChI InChI=1S/C21H14Cl2N2O4S/c22-16-10-7-13(11-17(16)23)12-5-8-14(9-6-12)24-21(27)19-20(26)15-3-1-2-4-18(15)30(28,29)25-19/h1-11,25-26H,(H,24,27)
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n/an/a 2.63E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50313196
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 |t:1|
Show InChI InChI=1S/C23H18Cl2N2O4S/c24-18-12-9-15(13-19(18)25)6-5-14-7-10-16(11-8-14)26-23(29)21-22(28)17-3-1-2-4-20(17)32(30,31)27-21/h1-4,7-13,27-28H,5-6H2,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
n/an/a 4.67E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50313196
PNG
(4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...)
Show SMILES OC1=C(NS(=O)(=O)c2ccccc12)C(=O)Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1 |t:1|
Show InChI InChI=1S/C23H18Cl2N2O4S/c24-18-12-9-15(13-19(18)25)6-5-14-7-10-16(11-8-14)26-23(29)21-22(28)17-3-1-2-4-20(17)32(30,31)27-21/h1-4,7-13,27-28H,5-6H2,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.89E+5n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX1

Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%