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Compile Data Set for Download or QSAR

Found 423 hits with Last Name = 'chateauneuf' and Initial = 'a'   
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))
BDBM50125405
PNG
((R)-5-((E)-(S)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[6...)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19+/m0/s1
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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
Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125411
PNG
((R)-5-((E)-(R)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[6...)
Show SMILES O[C@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards IP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160907
PNG
(5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES OC(=O)c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H16ClNO3S/c24-18-6-7-21(28-14-15-4-2-1-3-5-15)20(11-18)19-8-9-29-22(19)16-10-17(23(26)27)13-25-12-16/h1-13H,14H2,(H,26,27)
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134526
PNG
(2-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl...)
Show SMILES OC(=O)C1CC1c1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C27H22O3S/c28-27(29)24-15-23(24)21-11-5-4-10-20(21)19-14-26(31-17-19)22-12-6-7-13-25(22)30-16-18-8-2-1-3-9-18/h1-14,17,23-24H,15-16H2,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160912
PNG
(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
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3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125416
PNG
(7-{(R)-2-[(E)-3-Hydroxy-4-(3-methoxymethyl-phenyl)...)
Show SMILES COCc1cccc(CC(O)\C=C\[C@H]2CCC(=O)N2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C23H33NO5/c1-29-17-19-8-6-7-18(15-19)16-21(25)12-10-20-11-13-22(26)24(20)14-5-3-2-4-9-23(27)28/h6-8,10,12,15,20-21,25H,2-5,9,11,13-14,16-17H2,1H3,(H,27,28)/b12-10+/t20-,21?/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160915
PNG
(CHEMBL180046 | N-{3-[3-(2-Benzyloxy-5-chloro-pheny...)
Show SMILES Clc1ccc(OCc2ccccc2)c(c1)-c1ccsc1-c1cccc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C31H24ClNO2S/c32-25-14-15-29(35-21-23-10-5-2-6-11-23)28(20-25)27-16-17-36-31(27)24-12-7-13-26(19-24)33-30(34)18-22-8-3-1-4-9-22/h1-17,19-20H,18,21H2,(H,33,34)
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4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160909
PNG
(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(O)(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2
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4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160917
PNG
(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)
Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)
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4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160909
PNG
(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(O)(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2
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5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160915
PNG
(CHEMBL180046 | N-{3-[3-(2-Benzyloxy-5-chloro-pheny...)
Show SMILES Clc1ccc(OCc2ccccc2)c(c1)-c1ccsc1-c1cccc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C31H24ClNO2S/c32-25-14-15-29(35-21-23-10-5-2-6-11-23)28(20-25)27-16-17-36-31(27)24-12-7-13-26(19-24)33-30(34)18-22-8-3-1-4-9-22/h1-17,19-20H,18,21H2,(H,33,34)
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5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160912
PNG
(1-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-y...)
Show SMILES OC(c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H17ClF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
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6n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125401
PNG
(7-[(R)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolid...)
Show SMILES CCCCCC(O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17?/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160913
PNG
(6-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES OC(=O)c1cccc(n1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H16ClNO3S/c24-16-9-10-21(28-14-15-5-2-1-3-6-15)18(13-16)17-11-12-29-22(17)19-7-4-8-20(25-19)23(26)27/h1-13H,14H2,(H,26,27)
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6n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134524
PNG
((E)-3-{2-[(E)-3-(2-Benzyloxy-3-methyl-phenyl)-ally...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H24O3/c1-20-9-7-15-24(26(20)29-19-21-10-3-2-4-11-21)16-8-14-22-12-5-6-13-23(22)17-18-25(27)28/h2-13,15-18H,14,19H2,1H3,(H,27,28)/b16-8+,18-17+
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7n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50410087
PNG
(CHEMBL2113029)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccsc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClNO3S2/c24-18-9-10-22(28-15-16-5-2-1-3-6-16)21(14-18)23-20(11-12-29-23)17-7-4-8-19(13-17)30(25,26)27/h1-14H,15H2,(H2,25,26,27)
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8n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160914
PNG
(3-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES CC(NC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H25ClN2O2S/c1-21(25-11-6-15-33-19-25)34-31(35)24-10-5-9-23(17-24)30-27(14-16-37-30)28-18-26(32)12-13-29(28)36-20-22-7-3-2-4-8-22/h2-19,21H,20H2,1H3,(H,34,35)
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9n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostanoid EP1 receptor


(Rattus norvegicus (Rat))
BDBM50160913
PNG
(6-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES OC(=O)c1cccc(n1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H16ClNO3S/c24-16-9-10-21(28-14-15-5-2-1-3-6-15)18(13-16)17-11-12-29-22(17)19-7-4-8-20(25-19)23(26)27/h1-13H,14H2,(H,26,27)
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards Prostaglandin E receptor was determined in rat


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125409
PNG
(7-{(R)-2-[(E)-3-Hydroxy-3-(1-phenyl-cyclopropyl)-p...)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H31NO4/c25-20(23(15-16-23)18-8-4-3-5-9-18)13-11-19-12-14-21(26)24(19)17-7-2-1-6-10-22(27)28/h3-5,8-9,11,13,19-20,25H,1-2,6-7,10,12,14-17H2,(H,27,28)/b13-11+/t19-,20?/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125399
PNG
(CHEMBL430124 | {4-[(R)-2-((E)-3-Hydroxy-4-phenyl-b...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCC(O)=O
Show InChI InChI=1S/C20H27NO4S/c22-18(14-16-6-2-1-3-7-16)10-8-17-9-11-19(23)21(17)12-4-5-13-26-15-20(24)25/h1-3,6-8,10,17-18,22H,4-5,9,11-15H2,(H,24,25)/b10-8+/t17-,18?/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160910
PNG
(CHEMBL184779 | {3-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(=O)Cc1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C25H19ClO3S/c26-20-9-10-23(29-16-17-5-2-1-3-6-17)22(15-20)21-11-12-30-25(21)19-8-4-7-18(13-19)14-24(27)28/h1-13,15H,14,16H2,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134516
PNG
(CHEMBL434637 | Thiophene-2-sulfonic acid [3-(2''-b...)
Show SMILES O=C(CCc1ccccc1-c1cccc(c1)-c1ccccc1OCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C32H27NO4S2/c34-31(33-39(35,36)32-18-9-21-38-32)20-19-25-12-4-5-15-28(25)26-13-8-14-27(22-26)29-16-6-7-17-30(29)37-23-24-10-2-1-3-11-24/h1-18,21-22H,19-20,23H2,(H,33,34)
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16n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50117700
PNG
(CHEMBL87366 | Thiophene-2-sulfonic acid (3-{4'-[3-...)
Show SMILES O=C(CCc1ccccc1-c1ccc(OCCCOc2cccc(CSCCc3ccccc3)c2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C37H37NO5S3/c39-36(38-46(40,41)37-15-7-25-45-37)21-18-31-12-4-5-14-35(31)32-16-19-33(20-17-32)42-23-8-24-43-34-13-6-11-30(27-34)28-44-26-22-29-9-2-1-3-10-29/h1-7,9-17,19-20,25,27H,8,18,21-24,26,28H2,(H,38,39)
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16n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160914
PNG
(3-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-...)
Show SMILES CC(NC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H25ClN2O2S/c1-21(25-11-6-15-33-19-25)34-31(35)24-10-5-9-23(17-24)30-27(14-16-37-30)28-18-26(32)12-13-29(28)36-20-22-7-3-2-4-8-22/h2-19,21H,20H2,1H3,(H,34,35)
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17n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50410087
PNG
(CHEMBL2113029)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccsc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H18ClNO3S2/c24-18-9-10-22(28-15-16-5-2-1-3-6-16)21(14-18)23-20(11-12-29-23)17-7-4-8-19(13-17)30(25,26)27/h1-14H,15H2,(H2,25,26,27)
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18n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134522
PNG
(3-[2''-(2,6-Dichloro-benzyloxy)-[1,1';3',1'']terph...)
Show SMILES OC(=O)CCc1ccccc1-c1cccc(c1)-c1ccccc1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H22Cl2O3/c29-25-12-6-13-26(30)24(25)18-33-27-14-4-3-11-23(27)21-9-5-8-20(17-21)22-10-2-1-7-19(22)15-16-28(31)32/h1-14,17H,15-16,18H2,(H,31,32)
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21n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160908
PNG
(CHEMBL182623 | {5-[3-(2-Benzyloxy-5-chloro-phenyl)...)
Show SMILES OC(C#N)c1cncc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClN2O2S/c25-19-6-7-23(29-15-16-4-2-1-3-5-16)21(11-19)20-8-9-30-24(20)18-10-17(13-27-14-18)22(28)12-26/h1-11,13-14,22,28H,15H2
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23n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134519
PNG
(3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl...)
Show SMILES OC(=O)CCc1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C26H22O3S/c27-26(28)15-14-20-10-4-5-11-22(20)21-16-25(30-18-21)23-12-6-7-13-24(23)29-17-19-8-2-1-3-9-19/h1-13,16,18H,14-15,17H2,(H,27,28)
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23n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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25n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50117689
PNG
(CHEMBL87371 | Thiophene-2-sulfonic acid [(E)-3-(3'...)
Show SMILES Clc1ccc(cc1Cl)-c1ccccc1\C=C\C(=O)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C19H13Cl2NO3S2/c20-16-9-7-14(12-17(16)21)15-5-2-1-4-13(15)8-10-18(23)22-27(24,25)19-6-3-11-26-19/h1-12H,(H,22,23)/b10-8+
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25n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50117690
PNG
(CHEMBL86933 | Thiophene-2-sulfonic acid [3-(3'-phe...)
Show SMILES O=C(CCc1ccccc1-c1cccc(CSCCc2ccccc2)c1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-14-7-18-34-28)16-15-24-11-4-5-13-26(24)25-12-6-10-23(20-25)21-33-19-17-22-8-2-1-3-9-22/h1-14,18,20H,15-17,19,21H2,(H,29,30)
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27n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134525
PNG
(3-{2-[4-(2-Benzyloxy-phenyl)-thiophen-2-yl]-phenyl...)
Show SMILES OC(=O)CCc1ccccc1-c1cc(cs1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C26H22O3S/c27-26(28)15-14-20-10-4-5-12-23(20)25-16-21(18-30-25)22-11-6-7-13-24(22)29-17-19-8-2-1-3-9-19/h1-13,16,18H,14-15,17H2,(H,27,28)
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27n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125415
PNG
(7-[(S)-2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-...)
Show SMILES CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16-,17?/m0/s1
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28n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134517
PNG
(3-{2-[5-(2-Benzyloxy-phenyl)-thiophen-3-yl]-phenyl...)
Show SMILES CC(CC(O)=O)c1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C27H24O3S/c1-19(15-27(28)29)22-11-5-6-12-23(22)21-16-26(31-18-21)24-13-7-8-14-25(24)30-17-20-9-3-2-4-10-20/h2-14,16,18-19H,15,17H2,1H3,(H,28,29)
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35n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125403
PNG
(7-[2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-hept...)
Show SMILES CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)
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35n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50039916
PNG
(4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1cccs1
Show InChI InChI=1S/C31H27F3N4O4S2/c1-2-3-14-28-35-38(25-11-6-5-10-24(25)31(32,33)34)30(40)37(28)20-21-15-17-22(18-16-21)23-9-4-7-13-27(23)44(41,42)36-29(39)26-12-8-19-43-26/h4-13,15-19H,2-3,14,20H2,1H3,(H,36,39)
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46n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50117699
PNG
(CHEMBL83518 | Thiophene-2-sulfonic acid [3-(4'-phe...)
Show SMILES O=C(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-11-6-19-34-28)17-16-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-20-18-22-7-2-1-3-8-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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46n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160918
PNG
(CHEMBL182662 | N-{3-[3-(2-Benzyloxy-5-chloro-pheny...)
Show SMILES Clc1ccc(OCc2ccccc2)c(c1)-c1ccsc1-c1cccc(NS(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C30H24ClNO3S2/c31-25-14-15-29(35-20-22-8-3-1-4-9-22)28(19-25)27-16-17-36-30(27)24-12-7-13-26(18-24)32-37(33,34)21-23-10-5-2-6-11-23/h1-19,32H,20-21H2
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52n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor was determined in human


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134513
PNG
(CHEMBL124675 | {2-[5-(2-Benzyloxy-phenyl)-thiophen...)
Show SMILES OC(=O)CNc1ccccc1-c1csc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H21NO3S/c27-25(28)15-26-22-12-6-4-10-20(22)19-14-24(30-17-19)21-11-5-7-13-23(21)29-16-18-8-2-1-3-9-18/h1-14,17,26H,15-16H2,(H,27,28)
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52n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50117695
PNG
(CHEMBL87263 | Thiophene-2-sulfonic acid {3-[4'-(3-...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2CCC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C29H29NO5S2/c1-22-7-4-9-26(21-22)35-19-6-18-34-25-15-12-24(13-16-25)27-10-3-2-8-23(27)14-17-28(31)30-37(32,33)29-11-5-20-36-29/h2-5,7-13,15-16,20-21H,6,14,17-19H2,1H3,(H,30,31)
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53n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134523
PNG
(3-(2-Benzyloxy-[1,1';3',1'']terphenyl-2''-yl)-prop...)
Show SMILES OC(=O)CCc1ccccc1-c1cccc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C28H24O3/c29-28(30)18-17-22-11-4-5-14-25(22)23-12-8-13-24(19-23)26-15-6-7-16-27(26)31-20-21-9-2-1-3-10-21/h1-16,19H,17-18,20H2,(H,29,30)
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55n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125406
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-methyl-4-phenyl-pent-1-e...)
Show SMILES CC(C)(C(O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)c1ccccc1
Show InChI InChI=1S/C23H33NO4/c1-23(2,18-10-6-5-7-11-18)20(25)15-13-19-14-16-21(26)24(19)17-9-4-3-8-12-22(27)28/h5-7,10-11,13,15,19-20,25H,3-4,8-9,12,14,16-17H2,1-2H3,(H,27,28)/b15-13+/t19-,20?/m0/s1
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62n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50403949
PNG
(CHEMBL2112332)
Show SMILES C(Cc1ccccc1)SCc1ccc(cc1)-c1ccccc1CCc1nnn[nH]1
Show InChI InChI=1S/C24H24N4S/c1-2-6-19(7-3-1)16-17-29-18-20-10-12-22(13-11-20)23-9-5-4-8-21(23)14-15-24-25-27-28-26-24/h1-13H,14-18H2,(H,25,26,27,28)
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63n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125402
PNG
((R)-5-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[4-(1H...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCc1nnn[nH]1
Show InChI InChI=1S/C20H27N5O2S/c26-18(14-16-6-2-1-3-7-16)10-8-17-9-11-20(27)25(17)12-4-5-13-28-15-19-21-23-24-22-19/h1-3,6-8,10,17-18,26H,4-5,9,11-15H2,(H,21,22,23,24)/b10-8+/t17-,18?/m0/s1
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66n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160917
PNG
(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)
Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27)
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70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50160918
PNG
(CHEMBL182662 | N-{3-[3-(2-Benzyloxy-5-chloro-pheny...)
Show SMILES Clc1ccc(OCc2ccccc2)c(c1)-c1ccsc1-c1cccc(NS(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C30H24ClNO3S2/c31-25-14-15-29(35-20-22-8-3-1-4-9-22)28(19-25)27-16-17-36-30(27)24-12-7-13-26(18-24)32-37(33,34)21-23-10-5-2-6-11-23/h1-19,32H,20-21H2
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72n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin


Bioorg Med Chem Lett 15: 1155-60 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.005
BindingDB Entry DOI: 10.7270/Q2SF2VNV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50117697
PNG
(CHEMBL431612 | Thiophene-2-sulfonic acid [3-(2'-ph...)
Show SMILES O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-15-8-19-34-28)17-16-23-11-4-6-13-25(23)26-14-7-5-12-24(26)21-33-20-18-22-9-2-1-3-10-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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83n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134521
PNG
((E)-3-(2-Benzyloxy-[1,1';3',1'']terphenyl-2''-yl)-...)
Show SMILES OC(=O)\C=C\c1ccccc1-c1cccc(c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C28H22O3/c29-28(30)18-17-22-11-4-5-14-25(22)23-12-8-13-24(19-23)26-15-6-7-16-27(26)31-20-21-9-2-1-3-10-21/h1-19H,20H2,(H,29,30)/b18-17+
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84n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50134514
PNG
(3-(2-Phenoxymethyl-[1,1';3',1'']terphenyl-2''-yl)-...)
Show SMILES OC(=O)CCc1ccccc1-c1cccc(c1)-c1ccccc1COc1ccccc1
Show InChI InChI=1S/C28H24O3/c29-28(30)18-17-21-9-4-6-15-26(21)22-11-8-12-23(19-22)27-16-7-5-10-24(27)20-31-25-13-2-1-3-14-25/h1-16,19H,17-18,20H2,(H,29,30)
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89n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.


Bioorg Med Chem Lett 13: 3813-6 (2003)


BindingDB Entry DOI: 10.7270/Q26T0M1N
More data for this
Ligand-Target Pair
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