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Compile Data Set for Download or QSAR

Found 1332 hits with Last Name = 'ducharme' and Initial = 'y'   
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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))
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))
BDBM50335999
PNG
(2,6-dimethyl-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(C)cccc2C)cc1C
Show InChI InChI=1S/C36H39N3O6S/c1-6-44-31-26-13-8-9-14-27(26)32(45-7-2)30-28(31)21-39(34(30)40)29-16-15-25(19-24(29)5)20-36(17-18-36)37-35(41)38-46(42,43)33-22(3)11-10-12-23(33)4/h8-16,19H,6-7,17-18,20-21H2,1-5H3,(H2,37,38,41)
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0.400n/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))
BDBM50335998
PNG
(2,3-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)c2cccc(Cl)c2Cl)cc1C
Show InChI InChI=1S/C34H33Cl2N3O6S/c1-4-44-30-22-9-6-7-10-23(22)31(45-5-2)28-24(30)19-39(32(28)40)26-14-13-21(17-20(26)3)18-34(15-16-34)37-33(41)38-46(42,43)27-12-8-11-25(35)29(27)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)
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0.400n/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))
BDBM50319838
PNG
((S)-4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1...)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(cc3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20ClF3N2O3/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/h2-13,15H,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1
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0.440n/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))
BDBM50335987
PNG
(2-chloro-N-(1-(3-methyl-4-(6-oxo-5,9-bis(2,2,2-tri...)
Show SMILES Cc1cc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2Cl)ccc1N1Cc2c(C1=O)c(OCC(F)(F)F)c1cccnc1c2OCC(F)(F)F
Show InChI InChI=1S/C33H27ClF6N4O6S/c1-18-13-19(14-31(10-11-31)42-30(46)43-51(47,48)24-7-3-2-6-22(24)34)8-9-23(18)44-15-21-25(29(44)45)27(49-16-32(35,36)37)20-5-4-12-41-26(20)28(21)50-17-33(38,39)40/h2-9,12-13H,10-11,14-17H2,1H3,(H2,42,43,46)
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0.480n/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))
BDBM50335997
PNG
(CHEMBL1669024 | 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(F)cc2)cc1C
Show InChI InChI=1S/C34H34FN3O6S/c1-4-43-30-25-8-6-7-9-26(25)31(44-5-2)29-27(30)20-38(32(29)39)28-15-10-22(18-21(28)3)19-34(16-17-34)36-33(40)37-45(41,42)24-13-11-23(35)12-14-24/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,36,37,40)
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0.480n/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))
BDBM50335994
PNG
(2-bromo-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]iso...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2Br)cc1C
Show InChI InChI=1S/C34H34BrN3O6S/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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0.490n/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))
BDBM50335991
PNG
(CHEMBL1669007 | 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)c2ccc3ccccc3c2)cc1C
Show InChI InChI=1S/C38H37N3O6S/c1-4-46-34-29-12-8-9-13-30(29)35(47-5-2)33-31(34)23-41(36(33)42)32-17-14-25(20-24(32)3)22-38(18-19-38)39-37(43)40-48(44,45)28-16-15-26-10-6-7-11-27(26)21-28/h6-17,20-21H,4-5,18-19,22-23H2,1-3H3,(H2,39,40,43)
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0.520n/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))
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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0.530n/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 in pr...


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))
BDBM50308131
PNG
(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
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0.560n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50161746
PNG
((R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetra...)
Show SMILES OC(=O)CCn1c2CC[C@H](Cc2c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to thromboxane receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50319839
PNG
((S)-4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-...)
Show SMILES C[C@H](NC(=O)c1cccc2ccn(Cc3ccc(cc3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H21F3N2O3/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/h2-14,16H,15H2,1H3,(H,30,32)(H,33,34)/t16-/m0/s1
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0.620n/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))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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0.630n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335996
PNG
(CHEMBL1669002 | 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(OC(F)(F)F)cc2)cc1C
Show InChI InChI=1S/C35H34F3N3O7S/c1-4-46-30-25-8-6-7-9-26(25)31(47-5-2)29-27(30)20-41(32(29)42)28-15-10-22(18-21(28)3)19-34(16-17-34)39-33(43)40-49(44,45)24-13-11-23(12-14-24)48-35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,39,40,43)
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0.660n/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))
BDBM50336002
PNG
(CHEMBL1669019 | N-(1-(4-(5,9-diethoxy-6-oxo-6H-pyr...)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CC(C)NC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38)
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0.670n/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))
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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0.680n/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 in pr...


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
Prostanoid EP4 receptor


(Rattus norvegicus)
BDBM50308131
PNG
(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
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0.700n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from rat EP4 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50336004
PNG
(CHEMBL1669022 | N-(4-(4,9-bis(difluoromethoxy)-1-o...)
Show SMILES COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(C2=O)c(OC(F)F)c2ccccc2c3OC(F)F)c(C)c1
Show InChI InChI=1S/C32H28F4N2O5/c1-18-15-19(13-14-37-26(39)16-20-7-3-6-10-25(20)41-2)11-12-24(18)38-17-23-27(30(38)40)29(43-32(35)36)22-9-5-4-8-21(22)28(23)42-31(33)34/h3-12,15,31-32H,13-14,16-17H2,1-2H3,(H,37,39)
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0.710n/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))
BDBM50308134
PNG
(4-[({[2,5-Dichloro-4-(3-chlorobenzyl)-3-thienyl]ca...)
Show SMILES OC(=O)c1ccc(CNC(=O)c2c(Cl)sc(Cl)c2Cc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H14Cl3NO3S/c21-14-3-1-2-12(8-14)9-15-16(18(23)28-17(15)22)19(25)24-10-11-4-6-13(7-5-11)20(26)27/h1-8H,9-10H2,(H,24,25)(H,26,27)
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0.720n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308130
PNG
(4-{1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-4-3-5-19(12-16)25(26,27)28)21(15(2)33-14)22(30)29-24(10-11-24)18-8-6-17(7-9-18)23(31)32/h3-9,12H,10-11,13H2,1-2H3,(H,29,30)(H,31,32)
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0.75n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50319843
PNG
((S)-4-(1-(5-chloro-1-(3-chlorobenzyl)-1H-indole-7-...)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3cccc(Cl)c3)c12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H20Cl2N2O3/c1-15(17-5-7-18(8-6-17)25(31)32)28-24(30)22-13-21(27)12-19-9-10-29(23(19)22)14-16-3-2-4-20(26)11-16/h2-13,15H,14H2,1H3,(H,28,30)(H,31,32)/t15-/m0/s1
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0.810n/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))
BDBM50308133
PNG
(4-[(1R)-1-({[2,5-Dichloro-4-(3-chlorobenzyl)-3-thi...)
Show SMILES C[C@@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl3NO3S/c1-11(13-5-7-14(8-6-13)21(27)28)25-20(26)17-16(18(23)29-19(17)24)10-12-3-2-4-15(22)9-12/h2-9,11H,10H2,1H3,(H,25,26)(H,27,28)/t11-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50336001
PNG
(CHEMBL1669020 | N-(4-(5,9-diethoxy-6-oxo-6H-pyrrol...)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CCNC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C33H35N3O5/c1-5-40-31-24-11-9-16-35-30(24)32(41-6-2)25-20-36(33(38)29(25)31)26-14-13-22(18-21(26)3)15-17-34-28(37)19-23-10-7-8-12-27(23)39-4/h7-14,16,18H,5-6,15,17,19-20H2,1-4H3,(H,34,37)
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0.870n/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))
BDBM50308131
PNG
(4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)C(O)=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
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0.970n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333841
PNG
((R)-2-(3,4-difluoro-7-(4-fluoro-N-methylphenylsulf...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H19F3N2O4S/c1-25(31(29,30)14-5-2-12(22)3-6-14)13-4-9-18-16(10-19(27)28)15-7-8-17(23)20(24)21(15)26(18)11-13/h2-3,5-8,13H,4,9-11H2,1H3,(H,27,28)/t13-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333868
PNG
((R)-2-(3-fluoro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20F2N2O4S/c1-24(30(28,29)16-6-2-13(22)3-7-16)15-5-9-19-18(11-21(26)27)17-8-4-14(23)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333869
PNG
((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50335995
PNG
(CHEMBL1669003 | N-(1-(3-methyl-4-(6-oxo-5,9-bis(2,...)
Show SMILES Cc1cc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1Cc2c(C1=O)c(OCC(F)(F)F)c1cccnc1c2OCC(F)(F)F
Show InChI InChI=1S/C37H30F6N4O6S/c1-21-15-22(17-35(12-13-35)45-34(49)46-54(50,51)25-10-9-23-5-2-3-6-24(23)16-25)8-11-28(21)47-18-27-29(33(47)48)31(52-19-36(38,39)40)26-7-4-14-44-30(26)32(27)53-20-37(41,42)43/h2-11,14-16H,12-13,17-20H2,1H3,(H2,45,46,49)
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1.20n/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))
BDBM50336002
PNG
(CHEMBL1669019 | N-(1-(4-(5,9-diethoxy-6-oxo-6H-pyr...)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CC(C)NC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38)
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1.30n/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 in pr...


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))
BDBM50308125
PNG
(4-[(1S)-1-({[2,5-Dichloro-4-(3-chlorobenzyl)-3-thi...)
Show SMILES C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H16Cl3NO3S/c1-11(13-5-7-14(8-6-13)21(27)28)25-20(26)17-16(18(23)29-19(17)24)10-12-3-2-4-15(22)9-12/h2-9,11H,10H2,1H3,(H,25,26)(H,27,28)/t11-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
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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1.30n/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 in pr...


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))
BDBM50308129
PNG
(4-{(1S)-1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)be...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H22F3NO3S/c1-13(17-6-8-18(9-7-17)23(30)31)28-22(29)21-15(3)32-14(2)20(21)12-16-4-10-19(11-5-16)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,28,29)(H,30,31)/t13-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


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


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333850
PNG
((R)-2-(7-(4-fluoro-N-(4-fluorobenzyl)phenylsulfona...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H24F2N2O4S/c28-19-7-5-18(6-8-19)16-31(36(34,35)22-12-9-20(29)10-13-22)21-11-14-26-24(15-27(32)33)23-3-1-2-4-25(23)30(26)17-21/h1-10,12-13,21H,11,14-17H2,(H,32,33)/t21-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
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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1.44n/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 in pr...


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
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