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PubMed code 23266122

Compile data set for download or QSAR
Found 47 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))
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.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
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 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(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.

Curated by ChEMBL


Assay Description
Inhibition of FLAP (unknown origin)


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425317
PNG
(CHEMBL2315856)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425315
PNG
(CHEMBL2315854)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425320
PNG
(CHEMBL2315857)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425316
PNG
(CHEMBL2315855)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22+/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425317
PNG
(CHEMBL2315856)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425323
PNG
(CHEMBL2315862)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCC1CCCC1 |r|
Show InChI InChI=1S/C24H32ClN3O3/c25-18-8-9-22-20(14-18)27-24(31-22)28-12-10-17(11-13-28)23(29)26-19-6-3-7-21(19)30-15-16-4-1-2-5-16/h8-9,14,16-17,19,21H,1-7,10-13,15H2,(H,26,29)/t19-,21-/m1/s1
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n/an/a 176n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425328
PNG
(CHEMBL2315867)
Show SMILES CC1CCCC1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C19H24ClN3O2/c1-12-3-2-4-15(12)21-18(24)13-7-9-23(10-8-13)19-22-16-11-14(20)5-6-17(16)25-19/h5-6,11-13,15H,2-4,7-10H2,1H3,(H,21,24)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425327
PNG
(CHEMBL2315866)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1c1ccccc1
Show InChI InChI=1S/C24H26ClN3O2/c25-18-9-10-22-21(15-18)27-24(30-22)28-13-11-17(12-14-28)23(29)26-20-8-4-7-19(20)16-5-2-1-3-6-16/h1-3,5-6,9-10,15,17,19-20H,4,7-8,11-14H2,(H,26,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425315
PNG
(CHEMBL2315854)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425318
PNG
(CHEMBL2315861)
Show SMILES OC[C@H]1CC[C@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)|
Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16+
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425316
PNG
(CHEMBL2315855)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22+/m0/s1
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n/an/a 618n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425322
PNG
(CHEMBL2315859)
Show SMILES OC[C@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C19H24ClN3O3/c20-14-4-5-17-16(10-14)22-19(26-17)23-8-6-12(7-9-23)18(25)21-15-3-1-2-13(15)11-24/h4-5,10,12-13,15,24H,1-3,6-9,11H2,(H,21,25)/t13-,15-/m1/s1
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n/an/a 785n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425329
PNG
(CHEMBL2315868)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C20H26ClN3O2/c21-15-7-8-18-17(13-15)23-20(26-18)24-11-9-14(10-12-24)19(25)22-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,22,25)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425324
PNG
(CHEMBL2315864)
Show SMILES CCCCO[C@@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C22H30ClN3O3/c1-2-3-13-28-19-6-4-5-17(19)24-21(27)15-9-11-26(12-10-15)22-25-18-14-16(23)7-8-20(18)29-22/h7-8,14-15,17,19H,2-6,9-13H2,1H3,(H,24,27)/t17-,19-/m1/s1
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n/an/a 826n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425314
PNG
(CHEMBL2315877)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-13-5-6-16-15(11-13)21-18(24-16)22-9-7-12(8-10-22)17(23)20-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,20,23)
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n/an/a 853n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a 934n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as LPS-induced PGE2 production incubated 15 mins prior to LPS challenge measured after 24 hrs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425314
PNG
(CHEMBL2315877)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-13-5-6-16-15(11-13)21-18(24-16)22-9-7-12(8-10-22)17(23)20-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,20,23)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425337
PNG
(CHEMBL2315876)
Show SMILES CSCCNC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C16H20ClN3O2S/c1-23-9-6-18-15(21)11-4-7-20(8-5-11)16-19-13-10-12(17)2-3-14(13)22-16/h2-3,10-11H,4-9H2,1H3,(H,18,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in dog whole blood assessed as LPS-induced PGE2 production


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425318
PNG
(CHEMBL2315861)
Show SMILES OC[C@H]1CC[C@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)|
Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16+
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n/an/a 1.26E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
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.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425330
PNG
(CHEMBL2315870)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H24ClN3O2/c20-14-6-7-17-16(12-14)22-19(25-17)23-10-8-13(9-11-23)18(24)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,24)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425331
PNG
(CHEMBL2315869)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCC1
Show InChI InChI=1S/C17H20ClN3O2/c18-12-4-5-15-14(10-12)20-17(23-15)21-8-6-11(7-9-21)16(22)19-13-2-1-3-13/h4-5,10-11,13H,1-3,6-9H2,(H,19,22)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425321
PNG
(CHEMBL2315858)
Show SMILES OC[C@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C19H24ClN3O3/c20-14-4-5-17-16(10-14)22-19(26-17)23-8-6-12(7-9-23)18(25)21-15-3-1-2-13(15)11-24/h4-5,10,12-13,15,24H,1-3,6-9,11H2,(H,21,25)/t13-,15+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425326
PNG
(CHEMBL2315865)
Show SMILES OC(=O)C1CCCC1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C19H22ClN3O4/c20-12-4-5-16-15(10-12)22-19(27-16)23-8-6-11(7-9-23)17(24)21-14-3-1-2-13(14)18(25)26/h4-5,10-11,13-14H,1-3,6-9H2,(H,21,24)(H,25,26)
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n/an/a 7.18E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a 7.56E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425325
PNG
(CHEMBL2315863)
Show SMILES CO[C@@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C19H24ClN3O3/c1-25-16-4-2-3-14(16)21-18(24)12-7-9-23(10-8-12)19-22-15-11-13(20)5-6-17(15)26-19/h5-6,11-12,14,16H,2-4,7-10H2,1H3,(H,21,24)/t14-,16-/m1/s1
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n/an/a 8.15E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425336
PNG
(CHEMBL2315875)
Show SMILES Clc1ccc2oc(NCCCC(=O)NC3CCCC3)nc2c1
Show InChI InChI=1S/C16H20ClN3O2/c17-11-7-8-14-13(10-11)20-16(22-14)18-9-3-6-15(21)19-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H,18,20)(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425319
PNG
(CHEMBL2315860)
Show SMILES OC[C@H]1CC[C@@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wU:5.8,wD:2.1,(41.91,-13.61,;41.14,-12.28,;39.6,-12.28,;38.83,-10.94,;37.29,-10.94,;36.53,-12.27,;37.29,-13.61,;38.83,-13.61,;34.99,-12.28,;34.22,-10.94,;34.99,-9.61,;32.68,-10.95,;31.91,-12.28,;30.38,-12.29,;29.61,-10.96,;30.36,-9.62,;31.91,-9.62,;28.07,-10.97,;27.17,-12.22,;25.7,-11.75,;24.36,-12.53,;23.02,-11.76,;21.69,-12.53,;23.03,-10.22,;24.35,-9.45,;25.69,-10.21,;27.15,-9.72,)|
Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425335
PNG
(CHEMBL2315873)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H21ClN4O2/c18-12-5-6-15-14(11-12)20-17(24-15)22-9-7-21(8-10-22)16(23)19-13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin D Synthase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PGDS


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425334
PNG
(CHEMBL2315874)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C17H22ClN3O3S/c18-12-5-6-16-15(11-12)19-17(24-16)21-9-7-14(8-10-21)25(22,23)20-13-3-1-2-4-13/h5-6,11,13-14,20H,1-4,7-10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425318
PNG
(CHEMBL2315861)
Show SMILES OC[C@H]1CC[C@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)|
Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16+
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n/an/a 1.11E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425333
PNG
(CHEMBL2315872)
Show SMILES Clc1ccc2oc(nc2c1)N1CCCN(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C18H23ClN4O2/c19-13-6-7-16-15(12-13)21-18(25-16)23-9-3-8-22(10-11-23)17(24)20-14-4-1-2-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,24)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425319
PNG
(CHEMBL2315860)
Show SMILES OC[C@H]1CC[C@@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wU:5.8,wD:2.1,(41.91,-13.61,;41.14,-12.28,;39.6,-12.28,;38.83,-10.94,;37.29,-10.94,;36.53,-12.27,;37.29,-13.61,;38.83,-13.61,;34.99,-12.28,;34.22,-10.94,;34.99,-9.61,;32.68,-10.95,;31.91,-12.28,;30.38,-12.29,;29.61,-10.96,;30.36,-9.62,;31.91,-9.62,;28.07,-10.97,;27.17,-12.22,;25.7,-11.75,;24.36,-12.53,;23.02,-11.76,;21.69,-12.53,;23.03,-10.22,;24.35,-9.45,;25.69,-10.21,;27.15,-9.72,)|
Show InChI InChI=1S/C20H26ClN3O3/c21-15-3-6-18-17(11-15)23-20(27-18)24-9-7-14(8-10-24)19(26)22-16-4-1-13(12-25)2-5-16/h3,6,11,13-14,16,25H,1-2,4-5,7-10,12H2,(H,22,26)/t13-,16-
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n/an/a>1.91E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425315
PNG
(CHEMBL2315854)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m1/s1
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n/an/a 2.74E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
COX-2


(RAT)
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in rat synovial fibroblast assessed as inhibition of IL-1-mediated PGE2 production


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50425332
PNG
(CHEMBL2315871)
Show SMILES CN(C1CCCC1)C(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C19H24ClN3O2/c1-22(15-4-2-3-5-15)18(24)13-8-10-23(11-9-13)19-21-16-12-14(20)6-7-17(16)25-19/h6-7,12-13,15H,2-5,8-11H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425317
PNG
(CHEMBL2315856)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-22(15-19)28-25(32-23)29-13-11-17(12-14-29)24(30)27-21-8-4-5-18(21)16-31-20-6-2-1-3-7-20/h1-3,6-7,9-10,15,17-18,21H,4-5,8,11-14,16H2,(H,27,30)/t18-,21+/m1/s1
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n/an/a>3.36E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425316
PNG
(CHEMBL2315855)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22+/m0/s1
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n/an/a 7.66E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425314
PNG
(CHEMBL2315877)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-13-5-6-16-15(11-13)21-18(24-16)22-9-7-12(8-10-22)17(23)20-14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10H2,(H,20,23)
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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 COX2 in human fetal fibroblast assessed as SnCl2-induced PGF2alpha production after 40 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50425313
PNG
(CHEMBL2315853)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-19-9-10-23-21(15-19)28-25(32-23)29-13-11-18(12-14-29)24(30)27-20-7-4-8-22(20)31-16-17-5-2-1-3-6-17/h1-3,5-6,9-10,15,18,20,22H,4,7-8,11-14,16H2,(H,27,30)/t20-,22-/m0/s1
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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 COX2 in human fetal fibroblast assessed as SnCl2-induced PGF2alpha production after 40 mins by ELISA


Bioorg Med Chem Lett 23: 907-11 (2013)


Article DOI: 10.1016/j.bmcl.2012.10.040
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%