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Compile Data Set for Download or QSAR

Found 1431 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype'   
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))
BDBM119448
PNG
(US8686018, 107)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1
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8n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119450
PNG
(US8686018, 109)
Show SMILES Cn1nc(C(F)F)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Oc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F5N3O4/c1-31-20(35-15-4-2-3-14(11-15)23(26,27)28)16(17(30-31)18(24)25)19(32)29-22(9-10-22)13-7-5-12(6-8-13)21(33)34/h2-8,11,18H,9-10H2,1H3,(H,29,32)(H,33,34)
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8n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119451
PNG
(US8686018, 110)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(OC(F)F)c1)C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19F4N3O5/c1-11(12-6-8-13(9-7-12)21(31)32)27-19(30)16-17(18(23)24)28-29(2)20(16)33-14-4-3-5-15(10-14)34-22(25)26/h3-11,18,22H,1-2H3,(H,27,30)(H,31,32)/t11-/m0/s1
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10n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119449
PNG
(US8686018, 108)
Show SMILES C[C@H](NC(=O)c1c(Oc2ccc(Cl)c(Cl)c2)n(C)nc1C(F)(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl2F3N3O4/c1-10(11-3-5-12(6-4-11)20(31)32)27-18(30)16-17(21(24,25)26)28-29(2)19(16)33-13-7-8-14(22)15(23)9-13/h3-10H,1-2H3,(H,27,30)(H,31,32)/t10-/m0/s1
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13n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119444
PNG
(US8686018, 103)
Show SMILES C[C@H](NC(=O)c1c(C)nn(C)c1Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H20F3N3O4/c1-12(14-7-9-15(10-8-14)21(30)31)26-19(29)18-13(2)27-28(3)20(18)32-17-6-4-5-16(11-17)22(23,24)25/h4-12H,1-3H3,(H,26,29)(H,30,31)/t12-/m0/s1
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14n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119446
PNG
(US8686018, 105)
Show SMILES Cn1nc(c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Oc1cccc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17F6N3O4/c1-32-19(36-15-4-2-3-14(11-15)22(24,25)26)16(17(31-32)23(27,28)29)18(33)30-21(9-10-21)13-7-5-12(6-8-13)20(34)35/h2-8,11H,9-10H2,1H3,(H,30,33)(H,34,35)
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16n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119452
PNG
(US8686018, 111)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)F)C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19F4N3O4/c1-11(12-6-8-13(9-7-12)22(31)32)27-20(30)16-17(19(25)26)28-29(2)21(16)33-15-5-3-4-14(10-15)18(23)24/h3-11,18-19H,1-2H3,(H,27,30)(H,31,32)/t11-/m0/s1
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26n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119445
PNG
(US8686018, 104)
Show SMILES Cc1nn(C)c(Oc2cccc(c2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20F3N3O4/c1-13-18(19(30)27-22(10-11-22)15-8-6-14(7-9-15)21(31)32)20(29(2)28-13)33-17-5-3-4-16(12-17)23(24,25)26/h3-9,12H,10-11H2,1-2H3,(H,27,30)(H,31,32)
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43n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM119447
PNG
(US8686018, 106)
Show SMILES C[C@H](NC(=O)c1c(Oc2cccc(Cl)c2)n(C)nc1C(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H18ClF2N3O4/c1-11(12-6-8-13(9-7-12)21(29)30)25-19(28)16-17(18(23)24)26-27(2)20(16)31-15-5-3-4-14(22)10-15/h3-11,18H,1-2H3,(H,25,28)(H,29,30)/t11-/m0/s1
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50n/an/an/an/an/an/a7.4n/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to m...


US Patent US8686018 (2014)


BindingDB Entry DOI: 10.7270/Q2513WVM
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 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/an/an/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/an/an/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/an/an/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/an/an/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))
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))
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))
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))
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))
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/an/an/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))
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))
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))
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))
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))
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))
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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0.280n/a 0.740n/an/an/an/an/an/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
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 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))
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
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))
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))
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))
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))
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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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))
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
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))
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
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))
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))
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))
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))
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
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
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