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Compile Data Set for Download or QSAR

Found 7680 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor'   
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50101826
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CC(C)CC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-17(2)16-24(13-8-14-24)22(27)11-7-10-19-18(20(25)15-21(19)26)9-5-3-4-6-12-23(28)29/h3,5,7,10,17-19,21-22,26-27H,4,6,8-9,11-16H2,1-2H3,(H,28,29)/b5-3-,10-7+/t18-,19-,21-,22+/m1/s1
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>0.000100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.

Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50101833
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C24H38O5/c1-2-14-24(15-7-8-16-24)22(27)12-9-11-19-18(20(25)17-21(19)26)10-5-3-4-6-13-23(28)29/h3,5,9,11,18-19,21-22,26-27H,2,4,6-8,10,12-17H2,1H3,(H,28,29)/b5-3-,11-9+/t18-,19-,21-,22+/m1/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.

Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50101832
PNG
((E)-7-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1...)
Show SMILES CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O
Show InChI InChI=1S/C23H36O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h3,5,7,10,17-18,20-21,25-26H,2,4,6,8-9,11-16H2,1H3,(H,27,28)/b5-3+,10-7+/t17-,18?,20-,21+/m1/s1
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>0.000100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.

Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50101827
PNG
((Z)-7-{(1R,2R,3R)-2-[(E)-(S)-4-(1-Ethyl-cyclobutyl...)
Show SMILES CCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H34O5/c1-2-22(13-8-14-22)20(25)11-7-10-17-16(18(23)15-19(17)24)9-5-3-4-6-12-21(26)27/h3,5,7,10,16-17,19-20,24-25H,2,4,6,8-9,11-15H2,1H3,(H,26,27)/b5-3-,10-7+/t16-,17-,19-,20+/m1/s1
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>0.000100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.

Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50101825
PNG
((Z)-7-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4...)
Show SMILES CCCC1(CCCCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C25H40O5/c1-2-15-25(16-8-5-9-17-25)23(28)13-10-12-20-19(21(26)18-22(20)27)11-6-3-4-7-14-24(29)30/h3,6,10,12,19-20,22-23,27-28H,2,4-5,7-9,11,13-18H2,1H3,(H,29,30)/b6-3-,12-10+/t19-,20-,22-,23+/m1/s1
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>0.000100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.

Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50101823
PNG
(4-(2-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-...)
Show SMILES CCCC1(CCC1)[C@@H](O)C\C=C\C1[C@H](O)CC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H34O5/c1-2-13-25(14-4-15-25)23(28)6-3-5-19-20(22(27)16-21(19)26)12-9-17-7-10-18(11-8-17)24(29)30/h3,5,7-8,10-11,19-21,23,26,28H,2,4,6,9,12-16H2,1H3,(H,29,30)/b5-3+/t19?,20-,21-,23+/m1/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.

Bioorg Med Chem Lett 11: 2025-8 (2001)


BindingDB Entry DOI: 10.7270/Q2CV4H1T
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50366138
PNG
(CHEMBL1957437)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C30H28N2O4S2/c33-26(17-20-4-3-7-22(16-20)24-9-8-21-5-1-2-6-23(21)18-24)12-10-25-11-13-28(34)32(25)14-15-37-30-31-27(19-38-30)29(35)36/h1-10,12,16,18-19,25-26,33H,11,13-15,17H2,(H,35,36)/b12-10+/t25-,26+/m0/s1
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 0.0120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50366138
PNG
(CHEMBL1957437)
Show SMILES O[C@@H](Cc1cccc(c1)-c1ccc2ccccc2c1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C30H28N2O4S2/c33-26(17-20-4-3-7-22(16-20)24-9-8-21-5-1-2-6-23(21)18-24)12-10-25-11-13-28(34)32(25)14-15-37-30-31-27(19-38-30)29(35)36/h1-10,12,16,18-19,25-26,33H,11,13-15,17H2,(H,35,36)/b12-10+/t25-,26+/m0/s1
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 0.0120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50315980
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C32H28N4O4S/c33-22-25-5-3-8-30(20-25)41(38,39)35-32(37)14-13-28-12-10-26(23-36-17-4-16-34-36)21-31(28)40-18-15-24-9-11-27-6-1-2-7-29(27)19-24/h1-12,16-17,19-21H,13-15,18,23H2,(H,35,37)
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 0.0650n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter

Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50317912
PNG
(3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[(1R)-1-(3,...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)/t27-/m1/s1
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 0.0680n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting

Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50315979
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C31H27F2N3O4S/c32-28-12-11-27(20-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
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 0.0860n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter

Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307436
PNG
(3-[4-[(2-Chlorophenoxy)methyl]-2-({[1-(3,5-dimethy...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2Cl)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34ClNO4/c1-19(2)13-27(24-15-20(3)14-21(4)16-24)32-30(35)25-17-22(9-10-23(25)11-12-29(33)34)18-36-28-8-6-5-7-26(28)31/h5-10,14-17,19,27H,11-13,18H2,1-4H3,(H,32,35)(H,33,34)
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 0.0900n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50307408
PNG
(3-[4-[(2,5-Difluorophenoxy)methyl]-2-({[1-(3,5-dim...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cc(F)ccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)11-27(23-13-19(3)12-20(4)14-23)33-30(36)25-15-21(5-6-22(25)7-10-29(34)35)17-37-28-16-24(31)8-9-26(28)32/h5-6,8-9,12-16,18,27H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)
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 0.100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50385124
PNG
(CHEMBL2036314)
Show SMILES O[C@@H](Cc1cccc(c1)-c1cc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSCCCC(O)=O |r|
Show InChI InChI=1S/C28H31NO5S/c30-24(12-10-23-11-13-27(31)29(23)14-16-35-15-4-9-28(32)33)18-20-5-3-7-21(17-20)26-19-22-6-1-2-8-25(22)34-26/h1-3,5-8,10,12,17,19,23-24,30H,4,9,11,13-16,18H2,(H,32,33)/b12-10+/t23-,24+/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307434
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34FNO4/c1-19(2)13-27(24-15-20(3)14-21(4)16-24)32-30(35)25-17-22(9-10-23(25)11-12-29(33)34)18-36-28-8-6-5-7-26(28)31/h5-10,14-17,19,27H,11-13,18H2,1-4H3,(H,32,35)(H,33,34)
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 0.100n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307441
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(C)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H37NO4/c1-20(2)13-29(26-15-22(4)14-23(5)16-26)32-31(35)28-18-24(9-10-25(28)11-12-30(33)34)19-36-27-8-6-7-21(3)17-27/h6-10,14-18,20,29H,11-13,19H2,1-5H3,(H,32,35)(H,33,34)
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 0.110n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
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+/m0/s1
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 0.110n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...

J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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


(Mus musculus (Mouse))		BDBM50385132
PNG
(CHEMBL2036323)
Show SMILES O[C@@H](Cc1cccc(c1)-c1nc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C27H25N3O5S2/c31-20(15-17-4-3-5-18(14-17)25-28-21-6-1-2-7-23(21)35-25)10-8-19-9-11-24(32)30(19)12-13-36-27-29-22(16-37-27)26(33)34/h1-8,10,14,16,19-20,31H,9,11-13,15H2,(H,33,34)/b10-8+/t19-,20+/m0/s1
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 0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
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


(Mus musculus (Mouse))		BDBM50385131
PNG
(CHEMBL2036322)
Show SMILES O[C@@H](Cc1cccc(c1)-c1cc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C28H26N2O5S2/c31-22(15-18-4-3-6-19(14-18)25-16-20-5-1-2-7-24(20)35-25)10-8-21-9-11-26(32)30(21)12-13-36-28-29-23(17-37-28)27(33)34/h1-8,10,14,16-17,21-22,31H,9,11-13,15H2,(H,33,34)/b10-8+/t21-,22+/m0/s1
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 0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307406
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(3,5-dimethyl...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H34N2O4/c1-20(2)12-29(26-14-21(3)13-22(4)15-26)33-31(36)28-17-24(8-9-25(28)10-11-30(34)35)19-37-27-7-5-6-23(16-27)18-32/h5-9,13-17,20,29H,10-12,19H2,1-4H3,(H,33,36)(H,34,35)
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 0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50315985
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(methyl(phenyl...)
Show SMILES CN(CCOc1cc(Cn2cccn2)ccc1CCC(=O)NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1
Show InChI InChI=1S/C28H28F2N4O4S/c1-33(23-6-3-2-4-7-23)16-17-38-27-18-21(20-34-15-5-14-31-34)8-9-22(27)10-13-28(35)32-39(36,37)24-11-12-25(29)26(30)19-24/h2-9,11-12,14-15,18-19H,10,13,16-17,20H2,1H3,(H,32,35)
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 0.120n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter

Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307405
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(F)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H34FNO4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-16-22(8-9-23(27)10-11-29(33)34)18-36-26-7-5-6-25(31)17-26/h5-9,13-17,19,28H,10-12,18H2,1-4H3,(H,32,35)(H,33,34)
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 0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307414
PNG
(3-[2-({[1-(3-Methoxyphenyl)-3-methylbutyl]amino}ca...)
Show SMILES COc1cccc(c1)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C29H33NO5/c1-20(2)16-27(23-8-7-11-25(18-23)34-3)30-29(33)26-17-21(12-13-22(26)14-15-28(31)32)19-35-24-9-5-4-6-10-24/h4-13,17-18,20,27H,14-16,19H2,1-3H3,(H,30,33)(H,31,32)
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 0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50315981
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(naphthalen-1-ylm...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1ONCc1cccc2ccccc12
Show InChI InChI=1S/C30H26F2N4O4S/c31-27-13-12-25(18-28(27)32)41(38,39)35-30(37)14-11-23-10-9-21(20-36-16-4-15-33-36)17-29(23)40-34-19-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-18,34H,11,14,19-20H2,(H,35,37)
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 0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter

Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307445
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(3-methoxyphe...)
Show SMILES COc1cccc(c1)C(CC(C)C)NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O
Show InChI InChI=1S/C30H32N2O5/c1-20(2)14-28(24-7-5-8-25(17-24)36-3)32-30(35)27-16-22(10-11-23(27)12-13-29(33)34)19-37-26-9-4-6-21(15-26)18-31/h4-11,15-17,20,28H,12-14,19H2,1-3H3,(H,32,35)(H,33,34)
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 0.130n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50307428
PNG
(3-[2-({[1-(3-Fluoro-4-methoxyphenyl)-3-methylbutyl...)
Show SMILES COc1ccc(cc1F)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C29H32FNO5/c1-19(2)15-26(22-11-13-27(35-3)25(30)17-22)31-29(34)24-16-20(9-10-21(24)12-14-28(32)33)18-36-23-7-5-4-6-8-23/h4-11,13,16-17,19,26H,12,14-15,18H2,1-3H3,(H,31,34)(H,32,33)
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 0.140n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM85177
PNG
(CAS_80558-61-8 | M&B-28767 | NSC_119139)
Show SMILES OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O |w:11.12|
Show InChI InChI=1S/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)
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 0.140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50385138
PNG
(CHEMBL2037291)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1 |r|
Show InChI InChI=1S/C29H29N3O5S2/c1-17-12-18(2)26-23(13-17)30-27(37-26)20-5-3-4-19(14-20)15-22(33)8-6-21-7-9-25(34)32(21)10-11-38-29-31-24(16-39-29)28(35)36/h3-6,8,12-14,16,21-22,33H,7,9-11,15H2,1-2H3,(H,35,36)/b8-6+/t21-,22+/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307449
PNG
(3-[4-[(2,3-Difluorophenoxy)methyl]-2-({[1-(3,5-dim...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(F)c2F)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H33F2NO4/c1-18(2)12-26(23-14-19(3)13-20(4)15-23)33-30(36)24-16-21(8-9-22(24)10-11-28(34)35)17-37-27-7-5-6-25(31)29(27)32/h5-9,13-16,18,26H,10-12,17H2,1-4H3,(H,33,36)(H,34,35)
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 0.150n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307424
PNG
(3-[2-({[1-(4-Methoxy-3-methylphenyl)-3-methylbutyl...)
Show SMILES COc1ccc(cc1C)C(CC(C)C)NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C30H35NO5/c1-20(2)16-27(24-12-14-28(35-4)21(3)17-24)31-30(34)26-18-22(10-11-23(26)13-15-29(32)33)19-36-25-8-6-5-7-9-25/h5-12,14,17-18,20,27H,13,15-16,19H2,1-4H3,(H,31,34)(H,32,33)
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 0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307403
PNG
(3-[2-({[1-(4-Fluoro-3-methylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C29H32FNO4/c1-19(2)15-27(23-11-13-26(30)20(3)16-23)31-29(34)25-17-21(9-10-22(25)12-14-28(32)33)18-35-24-7-5-4-6-8-24/h4-11,13,16-17,19,27H,12,14-15,18H2,1-3H3,(H,31,34)(H,32,33)
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 0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
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


(Mus musculus (Mouse))		BDBM50385136
PNG
(CHEMBL2037289)
Show SMILES Cc1ccc2nc(oc2c1)-c1cccc(C[C@H](O)\C=C\[C@H]2CCC(=O)N2CCSc2nc(cs2)C(O)=O)c1 |r|
Show InChI InChI=1S/C28H27N3O5S2/c1-17-5-9-22-24(13-17)36-26(29-22)19-4-2-3-18(14-19)15-21(32)8-6-20-7-10-25(33)31(20)11-12-37-28-30-23(16-38-28)27(34)35/h2-6,8-9,13-14,16,20-21,32H,7,10-12,15H2,1H3,(H,34,35)/b8-6+/t20-,21+/m0/s1
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 0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 20: 3502-22 (2012)


Article DOI: 10.1016/j.bmc.2012.04.008
BindingDB Entry DOI: 10.7270/Q2D50P0B
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50317907
PNG
(3-[4-[(3-Chlorophenoxy)methyl]-2-({[(1R)-1-(3,5-di...)
Show SMILES CC(C)C[C@@H](NC(=O)c1cc(COc2cccc(Cl)c2)ccc1CCC(O)=O)c1cc(C)cc(C)c1 |r|
Show InChI InChI=1S/C30H34ClNO4/c1-19(2)12-28(24-14-20(3)13-21(4)15-24)32-30(35)27-16-22(8-9-23(27)10-11-29(33)34)18-36-26-7-5-6-25(31)17-26/h5-9,13-17,19,28H,10-12,18H2,1-4H3,(H,32,35)(H,33,34)/t28-/m1/s1
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 0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting

Bioorg Med Chem 18: 3212-23 (2010)


Article DOI: 10.1016/j.bmc.2010.03.028
BindingDB Entry DOI: 10.7270/Q2SF2WB7
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50315967
PNG
(CHEMBL1092432 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(COc2cccnc2)cc1OCCc1ccc2ccccc2c1
Show InChI InChI=1S/C33H28F2N2O5S/c34-30-13-12-29(20-31(30)35)43(39,40)37-33(38)14-11-26-10-8-24(22-42-28-6-3-16-36-21-28)19-32(26)41-17-15-23-7-9-25-4-1-2-5-27(25)18-23/h1-10,12-13,16,18-21H,11,14-15,17,22H2,(H,37,38)
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 0.160n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter

Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307423
PNG
(3-[2-({[1-(3,4-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C30H35NO4/c1-20(2)16-28(25-12-10-21(3)22(4)17-25)31-30(34)27-18-23(11-13-24(27)14-15-29(32)33)19-35-26-8-6-5-7-9-26/h5-13,17-18,20,28H,14-16,19H2,1-4H3,(H,31,34)(H,32,33)
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 0.170n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50307446
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluorophen...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H29FN2O4/c1-19(2)14-27(23-8-11-24(30)12-9-23)32-29(35)26-16-21(6-7-22(26)10-13-28(33)34)18-36-25-5-3-4-20(15-25)17-31/h3-9,11-12,15-16,19,27H,10,13-14,18H2,1-2H3,(H,32,35)(H,33,34)
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 0.170n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))		BDBM50307407
PNG
(3-{2-({[1-(3,5-Dimethylphenyl)-3-methylbutyl]amino...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2C)ccc1CCC(O)=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C31H37NO4/c1-20(2)14-28(26-16-21(3)15-22(4)17-26)32-31(35)27-18-24(10-11-25(27)12-13-30(33)34)19-36-29-9-7-6-8-23(29)5/h6-11,15-18,20,28H,12-14,19H2,1-5H3,(H,32,35)(H,33,34)
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 0.170n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
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 EP3 subtype


(Mus musculus (Mouse))		BDBM50307419
PNG
(3-[2-({[1-(3-Chlorophenyl)-3-methylbutyl]amino}car...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C28H30ClNO4/c1-19(2)15-26(22-7-6-8-23(29)17-22)30-28(33)25-16-20(11-12-21(25)13-14-27(31)32)18-34-24-9-4-3-5-10-24/h3-12,16-17,19,26H,13-15,18H2,1-2H3,(H,30,33)(H,31,32)
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 0.180n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane

Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
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