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Compile Data Set for Download or QSAR

Found 2377 hits Enz. Inhib. hit(s) with Target = 'PTGER2'   
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 E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50373939
PNG
(CHEMBL258332)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24ClNO4/c24-19-3-1-2-17(14-19)15-21(26)10-8-20-9-11-22(27)25(20)13-12-16-4-6-18(7-5-16)23(28)29/h1-8,10,14,20-21,26H,9,11-13,15H2,(H,28,29)/b10-8+/t20-,21+/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



EMD-Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE4 from human EP4 receptor


Bioorg Med Chem Lett 18: 821-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.020
BindingDB Entry DOI: 10.7270/Q2W096SW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50373942
PNG
(CHEMBL272276)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25NO4/c25-21(16-18-4-2-1-3-5-18)12-10-20-11-13-22(26)24(20)15-14-17-6-8-19(9-7-17)23(27)28/h1-10,12,20-21,25H,11,13-16H2,(H,27,28)/b12-10+/t20-,21+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



EMD-Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE4 from human EP4 receptor


Bioorg Med Chem Lett 18: 821-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.020
BindingDB Entry DOI: 10.7270/Q2W096SW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190273
PNG
(US9180116, 21C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H27F2NO4/c1-2-3-4-5-18(25)11-10-17-14-21(22,23)20(28)24(17)13-12-15-6-8-16(9-7-15)19(26)27/h6-11,17-18,25H,2-5,12-14H2,1H3,(H,26,27)/b11-10+/t17-,18-/m0/s1
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0.0820n/a 0.220n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22 C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190282
PNG
(US9180116, 33C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O
Show InChI InChI=1S/C20H27F2NO4S/c1-2-3-4-6-15(24)9-8-14-13-20(21,22)19(27)23(14)12-5-7-16-10-11-17(28-16)18(25)26/h8-11,14-15,24H,2-7,12-13H2,1H3,(H,25,26)/b9-8+/t14-,15-/m0/s1
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0.100n/a 0.280n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22 C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335985
PNG
(CHEMBL1669013 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1C
Show InChI InChI=1S/C35H37N3O6S/c1-5-43-31-26-9-7-8-10-27(26)32(44-6-2)30-28(31)21-38(33(30)39)29-16-13-24(19-23(29)4)20-35(17-18-35)36-34(40)37-45(41,42)25-14-11-22(3)12-15-25/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H2,36,37,40)
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0.110n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190272
PNG
(US9180116, 12D)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H27F2NO4/c1-3-4-5-6-16(2)20(27)12-11-19-15-23(24,25)22(30)26(19)14-13-17-7-9-18(10-8-17)21(28)29/h7-12,16,19-20,27H,3,6,13-15H2,1-2H3,(H,28,29)/b12-11+/t16-,19-,20+/m0/s1
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0.120n/a 0.320n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22 C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372064
PNG
(CHEMBL256873)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2c(OC)cccc2C(C)=O)cc1C
Show InChI InChI=1S/C34H35N3O8S/c1-6-44-32-24-11-9-15-35-31(24)33(45-7-2)26-18-37(34(40)30(26)32)27-14-13-22(16-20(27)3)19-46(41,42)36-29(39)17-25-23(21(4)38)10-8-12-28(25)43-5/h8-16H,6-7,17-19H2,1-5H3,(H,36,39)
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0.120n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50101822
PNG
((Z)-7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-o...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19-/m1/s1
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0.140n/a 0.380n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22 C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335980
PNG
(CHEMBL1669017 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2ncccc2OC)cc1C
Show InChI InChI=1S/C35H37N3O5/c1-5-42-32-24-10-7-8-11-25(24)33(43-6-2)31-26(32)21-38(34(31)40)28-14-13-23(18-22(28)3)20-35(15-16-35)37-30(39)19-27-29(41-4)12-9-17-36-27/h7-14,17-18H,5-6,15-16,19-21H2,1-4H3,(H,37,39)
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0.160n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335986
PNG
(2-chloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]is...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2Cl)cc1C
Show InChI InChI=1S/C34H34ClN3O6S/c1-4-43-30-23-10-6-7-11-24(23)31(44-5-2)29-25(30)20-38(32(29)39)27-15-14-22(18-21(27)3)19-34(16-17-34)36-33(40)37-45(41,42)28-13-9-8-12-26(28)35/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,36,37,40)
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0.160n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335989
PNG
(CHEMBL1669009 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2OC)cc1C
Show InChI InChI=1S/C35H37N3O7S/c1-5-44-31-24-11-7-8-12-25(24)32(45-6-2)30-26(31)21-38(33(30)39)27-16-15-23(19-22(27)3)20-35(17-18-35)36-34(40)37-46(41,42)29-14-10-9-13-28(29)43-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H2,36,37,40)
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0.170n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335981
PNG
(3-(2-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2cc(ccc2OC)C(O)=O)cc1C
Show InChI InChI=1S/C37H38N2O7/c1-5-45-33-26-9-7-8-10-27(26)34(46-6-2)32-28(33)21-39(35(32)41)29-13-11-23(17-22(29)3)20-37(15-16-37)38-31(40)19-25-18-24(36(42)43)12-14-30(25)44-4/h7-14,17-18H,5-6,15-16,19-21H2,1-4H3,(H,38,40)(H,42,43)
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0.180n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50333737
PNG
(3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl...)
Show SMILES COc1ccccc1CC(=O)NCCc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C
Show InChI InChI=1S/C30H32N2O3S/c1-19-16-20(2)28-24(17-19)27(29(36-28)30(34)32(3)4)22-12-10-21(11-13-22)14-15-31-26(33)18-23-8-6-7-9-25(23)35-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,31,33)
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0.200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor


Bioorg Med Chem Lett 21: 734-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.118
BindingDB Entry DOI: 10.7270/Q22N52JP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335984
PNG
(CHEMBL1669018 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C36H38N2O5/c1-5-42-33-26-12-8-9-13-27(26)34(43-6-2)32-28(33)22-38(35(32)40)29-16-15-24(19-23(29)3)21-36(17-18-36)37-31(39)20-25-11-7-10-14-30(25)41-4/h7-16,19H,5-6,17-18,20-22H2,1-4H3,(H,37,39)
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0.200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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0.210n/a 0.570n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22 C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372051
PNG
(CHEMBL269987)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2OC(F)(F)F)cc1C
Show InChI InChI=1S/C32H30F3N3O7S/c1-4-43-29-22-10-8-14-36-28(22)30(44-5-2)23-17-38(31(40)27(23)29)24-13-12-20(15-19(24)3)18-46(41,42)37-26(39)16-21-9-6-7-11-25(21)45-32(33,34)35/h6-15H,4-5,16-18H2,1-3H3,(H,37,39)
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0.210n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50319837
PNG
(4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-ca...)
Show SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cccc2ccn(Cc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35)
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0.230n/an/an/an/an/an/an/an/a



Merck Frosst Canada Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 3760-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335988
PNG
(CHEMBL1669010 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C
Show InChI InChI=1S/C35H37N3O6S/c1-5-43-31-25-12-8-9-13-26(25)32(44-6-2)30-27(31)21-38(33(30)39)28-16-15-24(19-23(28)4)20-35(17-18-35)36-34(40)37-45(41,42)29-14-10-7-11-22(29)3/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H2,36,37,40)
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0.230n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372054
PNG
(CHEMBL255527)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2)cc1C
Show InChI InChI=1S/C32H32N2O6S/c1-4-39-30-24-13-9-10-14-25(24)31(40-5-2)29-26(30)19-34(32(29)36)27-16-15-23(17-21(27)3)20-41(37,38)33-28(35)18-22-11-7-6-8-12-22/h6-17H,4-5,18-20H2,1-3H3,(H,33,35)
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0.25n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372052
PNG
(CHEMBL218699)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2Cl)cc1C
Show InChI InChI=1S/C31H30ClN3O6S/c1-4-40-29-22-10-8-14-33-28(22)30(41-5-2)23-17-35(31(37)27(23)29)25-13-12-20(15-19(25)3)18-42(38,39)34-26(36)16-21-9-6-7-11-24(21)32/h6-15H,4-5,16-18H2,1-3H3,(H,34,36)
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0.270n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372050
PNG
(CHEMBL255906)
Show SMILES CCOc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC)c2cccnc2c3OCC)c(C)c1
Show InChI InChI=1S/C33H35N3O7S/c1-5-41-27-13-9-8-11-23(27)18-28(37)35-44(39,40)20-22-14-15-26(21(4)17-22)36-19-25-29(33(36)38)31(42-6-2)24-12-10-16-34-30(24)32(25)43-7-3/h8-17H,5-7,18-20H2,1-4H3,(H,35,37)
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0.270n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190275
PNG
(US9180116, 28C | US9180116, 28H)
Show SMILES C[C@@H](CCCc1ccccc1)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O
Show InChI InChI=1S/C26H31F2NO4S/c1-18(7-5-10-19-8-3-2-4-9-19)22(30)14-12-20-17-26(27,28)25(33)29(20)16-6-11-21-13-15-23(34-21)24(31)32/h2-4,8-9,12-15,18,20,22,30H,5-7,10-11,16-17H2,1H3,(H,31,32)/b14-12+/t18-,20-,22+/m0/s1
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US Patent
0.280n/a 0.740n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22 C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334136
PNG
((S)-4-(1-(1-(biphenyl-4-ylmethyl)indoline-7-carbox...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(cc3)-c3ccccc3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C31H28N2O3/c1-21(23-14-16-27(17-15-23)31(35)36)32-30(34)28-9-5-8-26-18-19-33(29(26)28)20-22-10-12-25(13-11-22)24-6-3-2-4-7-24/h2-17,21H,18-20H2,1H3,(H,32,34)(H,35,36)/t21-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372065
PNG
(CHEMBL272363)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2c(Cl)cccc2Cl)cc1C
Show InChI InChI=1S/C31H29Cl2N3O6S/c1-4-41-29-20-8-7-13-34-28(20)30(42-5-2)22-16-36(31(38)27(22)29)25-12-11-19(14-18(25)3)17-43(39,40)35-26(37)15-21-23(32)9-6-10-24(21)33/h6-14H,4-5,15-17H2,1-3H3,(H,35,37)
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0.280n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM263346
PNG
(US9546162, 4)
Show SMILES OC(=O)c1ccc(CCc2cccc3CCN(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c23)cc1
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0.300n/an/an/a 11n/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9546162 (2017)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q2P55QHV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50165949
PNG
(C-Phenyl-N-{3-[2-((S)-5-phenyl-4-phenyl-oxazol-2-y...)
Show SMILES O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:24|
Show InChI InChI=1S/C36H32N2O4S/c39-35(38-43(40,41)25-26-13-4-1-5-14-26)31-21-12-15-27(24-31)23-30-20-10-11-22-32(30)36-37-33(28-16-6-2-7-17-28)34(42-36)29-18-8-3-9-19-29/h1-9,12-19,21-22,24,30H,10-11,20,23,25H2,(H,38,39)/t30-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptor


J Med Chem 48: 3103-6 (2005)


Article DOI: 10.1021/jm050085k
BindingDB Entry DOI: 10.7270/Q2XD116M
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50012544
PNG
(CHEMBL3260768)
Show SMILES Cc1oc(cc1CNc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C27H24F2N2O5S/c1-17-5-3-4-6-25(17)37(33,34)31-26(32)24-15-21(18(2)35-24)16-30-22-11-7-19(8-12-22)20-9-13-23(14-10-20)36-27(28)29/h3-15,27,30H,16H2,1-2H3,(H,31,32)
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0.300n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting


Bioorg Med Chem Lett 24: 2212-21 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335990
PNG
(2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C
Show InChI InChI=1S/C34H33Cl2N3O6S/c1-4-44-29-22-9-6-7-10-23(22)30(45-5-2)28-24(29)19-39(32(28)40)27-14-13-21(17-20(27)3)18-34(15-16-34)37-33(41)38-46(42,43)31-25(35)11-8-12-26(31)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)
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0.300n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50319836
PNG
(4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1H-in...)
Show SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C27H20ClF3N2O3/c28-21-13-18-9-12-33(15-16-1-5-20(6-2-16)27(29,30)31)23(18)22(14-21)24(34)32-26(10-11-26)19-7-3-17(4-8-19)25(35)36/h1-9,12-14H,10-11,15H2,(H,32,34)(H,35,36)
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0.310n/an/an/an/an/an/an/an/a



Merck Frosst Canada Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 3760-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372056
PNG
(CHEMBL255422)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C31H30N2O6S/c1-3-38-29-24-12-8-9-13-25(24)30(39-4-2)28-26(29)19-33(31(28)35)23-16-14-22(15-17-23)20-40(36,37)32-27(34)18-21-10-6-5-7-11-21/h5-17H,3-4,18-20H2,1-2H3,(H,32,34)
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0.310n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335982
PNG
(2-(2-chlorophenyl)-N-(1-(4-(4,9-diethoxy-1-oxo-1H-...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2ccccc2Cl)cc1C
Show InChI InChI=1S/C35H35ClN2O4/c1-4-41-32-25-11-7-8-12-26(25)33(42-5-2)31-27(32)21-38(34(31)40)29-15-14-23(18-22(29)3)20-35(16-17-35)37-30(39)19-24-10-6-9-13-28(24)36/h6-15,18H,4-5,16-17,19-21H2,1-3H3,(H,37,39)
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0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372049
PNG
(CHEMBL257255)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2OC(F)F)cc1C
Show InChI InChI=1S/C32H31F2N3O7S/c1-4-42-29-22-10-8-14-35-28(22)30(43-5-2)23-17-37(31(39)27(23)29)24-13-12-20(15-19(24)3)18-45(40,41)36-26(38)16-21-9-6-7-11-25(21)44-32(33)34/h6-15,32H,4-5,16-18H2,1-3H3,(H,36,38)
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0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50336003
PNG
(CHEMBL1669023 | N-(4-(4,9-diethoxy-1-oxo-1H-benzo[...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CCNC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H36N2O5/c1-5-40-32-25-12-8-9-13-26(25)33(41-6-2)31-27(32)21-36(34(31)38)28-16-15-23(19-22(28)3)17-18-35-30(37)20-24-11-7-10-14-29(24)39-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H,35,37)
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0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334129
PNG
((S)-4-(1-(1-(3,5-dibromobenzyl)indoline-7-carboxam...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3cc(Br)cc(Br)c3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22Br2N2O3/c1-15(17-5-7-19(8-6-17)25(31)32)28-24(30)22-4-2-3-18-9-10-29(23(18)22)14-16-11-20(26)13-21(27)12-16/h2-8,11-13,15H,9-10,14H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50333727
PNG
(3-(4-((N-(1-(2-methoxyphenyl)cyclopropanecarbonyl)...)
Show SMILES COc1ccccc1C1(CC1)C(=O)NS(=O)(=O)Cc1ccc(cc1)-c1c(sc2c(C)cc(C)cc12)C(=O)N(C)C
Show InChI InChI=1S/C31H32N2O5S2/c1-19-16-20(2)27-23(17-19)26(28(39-27)29(34)33(3)4)22-12-10-21(11-13-22)18-40(36,37)32-30(35)31(14-15-31)24-8-6-7-9-25(24)38-5/h6-13,16-17H,14-15,18H2,1-5H3,(H,32,35)
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PubMed
0.330n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor


Bioorg Med Chem Lett 21: 734-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.118
BindingDB Entry DOI: 10.7270/Q22N52JP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335993
PNG
(CHEMBL1669005 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(OC)cccc2OC)cc1C
Show InChI InChI=1S/C36H39N3O8S/c1-6-46-31-24-11-8-9-12-25(24)32(47-7-2)30-26(31)21-39(34(30)40)27-16-15-23(19-22(27)3)20-36(17-18-36)37-35(41)38-48(42,43)33-28(44-4)13-10-14-29(33)45-5/h8-16,19H,6-7,17-18,20-21H2,1-5H3,(H2,37,38,41)
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0.340n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334130
PNG
((S)-4-(1-(1-(3,4-dichlorobenzyl)indoline-7-carboxa...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(Cl)c(Cl)c3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22Cl2N2O3/c1-15(17-6-8-19(9-7-17)25(31)32)28-24(30)20-4-2-3-18-11-12-29(23(18)20)14-16-5-10-21(26)22(27)13-16/h2-10,13,15H,11-12,14H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50319837
PNG
(4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-ca...)
Show SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cccc2ccn(Cc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35)
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0.340n/an/an/an/an/an/an/an/a



Merck Frosst Canada Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting in presence of 10%...


Bioorg Med Chem Lett 20: 3760-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335983
PNG
(2-(2,4-dichlorophenyl)-N-(1-(4-(4,9-diethoxy-1-oxo...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)Cc2ccc(Cl)cc2Cl)cc1C
Show InChI InChI=1S/C35H34Cl2N2O4/c1-4-42-32-25-8-6-7-9-26(25)33(43-5-2)31-27(32)20-39(34(31)41)29-13-10-22(16-21(29)3)19-35(14-15-35)38-30(40)17-23-11-12-24(36)18-28(23)37/h6-13,16,18H,4-5,14-15,17,19-20H2,1-3H3,(H,38,40)
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0.340n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372062
PNG
(CHEMBL272498)
Show SMILES COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OC(C)C)c2cccnc2c3OC(C)C)c(C)c1
Show InChI InChI=1S/C34H37N3O7S/c1-20(2)43-32-25-11-9-15-35-31(25)33(44-21(3)4)26-18-37(34(39)30(26)32)27-14-13-23(16-22(27)5)19-45(40,41)36-29(38)17-24-10-7-8-12-28(24)42-6/h7-16,20-21H,17-19H2,1-6H3,(H,36,38)
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0.360n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334149
PNG
((S)-4-(1-(5-fluoro-1-(4-(trifluoromethyl)benzyl)in...)
Show SMILES C[C@H](NC(=O)c1cc(F)cc2CCN(Cc3ccc(cc3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H22F4N2O3/c1-15(17-4-6-18(7-5-17)25(34)35)31-24(33)22-13-21(27)12-19-10-11-32(23(19)22)14-16-2-8-20(9-3-16)26(28,29)30/h2-9,12-13,15H,10-11,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334133
PNG
((S)-4-(1-(1-(4-(trifluoromethyl)benzyl)indoline-7-...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(cc3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-16(18-7-9-20(10-8-18)25(33)34)30-24(32)22-4-2-3-19-13-14-31(23(19)22)15-17-5-11-21(12-6-17)26(27,28)29/h2-12,16H,13-15H2,1H3,(H,30,32)(H,33,34)/t16-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372073
PNG
(CHEMBL256220)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2cc(OC)ccc2OC)cc1
Show InChI InChI=1S/C33H34N2O8S/c1-5-42-31-25-9-7-8-10-26(25)32(43-6-2)30-27(31)19-35(33(30)37)23-13-11-21(12-14-23)20-44(38,39)34-29(36)18-22-17-24(40-3)15-16-28(22)41-4/h7-17H,5-6,18-20H2,1-4H3,(H,34,36)
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0.370n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372063
PNG
(CHEMBL271095)
Show SMILES COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1
Show InChI InChI=1S/C32H27F6N3O7S/c1-18-12-19(15-49(44,45)40-25(42)13-20-6-3-4-8-24(20)46-2)9-10-23(18)41-14-22-26(30(41)43)28(47-16-31(33,34)35)21-7-5-11-39-27(21)29(22)48-17-32(36,37)38/h3-12H,13-17H2,1-2H3,(H,40,42)
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0.380n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50319840
PNG
((S)-4-(1-(1-(3-chloro-5-(trifluoromethoxy)benzyl)-...)
Show SMILES C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H20ClF3N2O4/c1-15(17-5-7-19(8-6-17)25(34)35)31-24(33)22-4-2-3-18-9-10-32(23(18)22)14-16-11-20(27)13-21(12-16)36-26(28,29)30/h2-13,15H,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Merck Frosst Canada Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 3760-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372075
PNG
(CHEMBL256183)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)COc2ccccc2)cc1
Show InChI InChI=1S/C31H30N2O7S/c1-3-38-29-24-12-8-9-13-25(24)30(39-4-2)28-26(29)18-33(31(28)35)22-16-14-21(15-17-22)20-41(36,37)32-27(34)19-40-23-10-6-5-7-11-23/h5-17H,3-4,18-20H2,1-2H3,(H,32,34)
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0.380n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335992
PNG
(CHEMBL1669006 | N-(1-(4-(4,9-diethoxy-1-oxo-1H-ben...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C
Show InChI InChI=1S/C35H34F3N3O6S/c1-4-46-30-23-10-6-7-11-24(23)31(47-5-2)29-25(30)20-41(32(29)42)27-15-14-22(18-21(27)3)19-34(16-17-34)39-33(43)40-48(44,45)28-13-9-8-12-26(28)35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,39,40,43)
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0.390n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM263361
PNG
(US9546162, 19)
Show SMILES COc1cc(CO)cc(c1)S(=O)(=O)N1CCc2cccc(CCc3ccc(cc3)C(O)=O)c12
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US Patent
0.400n/an/an/a 2n/an/a7.4n/a



ALLERGAN, INC.

US Patent




US Patent US9546162 (2017)


Article DOI: 10.1021/jm049354h
BindingDB Entry DOI: 10.7270/Q2P55QHV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334147
PNG
((S)-4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)in...)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cc2CCN(Cc3ccc(cc3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H22ClF3N2O3/c1-15(17-4-6-18(7-5-17)25(34)35)31-24(33)22-13-21(27)12-19-10-11-32(23(19)22)14-16-2-8-20(9-3-16)26(28,29)30/h2-9,12-13,15H,10-11,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50334128
PNG
((S)-4-(1-(1-(3-(trifluoromethyl)benzyl)indoline-7-...)
Show SMILES C[C@H](NC(=O)c1cccc2CCN(Cc3cccc(c3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23F3N2O3/c1-16(18-8-10-20(11-9-18)25(33)34)30-24(32)22-7-3-5-19-12-13-31(23(19)22)15-17-4-2-6-21(14-17)26(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,30,32)(H,33,34)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 21: 484-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.106
BindingDB Entry DOI: 10.7270/Q2BZ6695
More data for this
Ligand-Target Pair
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