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Compile Data Set for Download or QSAR

Found 486 hits with Last Name = 'carrière' and Initial = 'mc'   
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


(Homo sapiens (Human))
BDBM50193920
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C31H25NO4S2/c33-30(32-38(34,35)31-11-6-18-37-31)17-15-25-9-4-5-10-26(25)19-24-12-13-28-21-29(16-14-27(28)20-24)36-22-23-7-2-1-3-8-23/h1-18,20-21H,19,22H2,(H,32,33)/b17-15+
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0.600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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0.600n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193935
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
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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
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193935
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C34H28BrNO5S/c1-40-32-17-15-30(35)22-33(32)42(38,39)36-34(37)18-14-26-9-5-6-10-27(26)19-25-11-12-29-21-31(16-13-28(29)20-25)41-23-24-7-3-2-4-8-24/h2-18,20-22H,19,23H2,1H3,(H,36,37)/b18-14+
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0.900n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193921
PNG
(3-(2-(naphthalen-2-ylmethyl)phenyl)-N-(thiophen-2-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C24H19NO3S2/c26-23(25-30(27,28)24-10-5-15-29-24)14-13-20-7-2-4-9-22(20)17-18-11-12-19-6-1-3-8-21(19)16-18/h1-16H,17H2,(H,25,26)/b14-13+
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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
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193918
PNG
(3-(2-((E)-3-(4-(benzyloxy)-3-methoxyphenyl)prop-1-...)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-10,12-21H,11,22H2,1H3,(H,31,32)/b14-7+,19-17+
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193938
PNG
(3-(2-(4-(benzyloxy)-3-methoxycinnamyl)phenyl)-N-(t...)
Show SMILES COc1cc(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCc1ccccc1
Show InChI InChI=1S/C30H27NO5S2/c1-35-28-21-23(16-18-27(28)36-22-24-9-3-2-4-10-24)11-7-14-25-12-5-6-13-26(25)17-19-29(32)31-38(33,34)30-15-8-20-37-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b11-7+,19-17+
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1.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193923
PNG
(3-(2-(4-methoxycinnamyl)phenyl)-N-(thiophen-2-ylsu...)
Show SMILES COc1ccc(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H21NO4S2/c1-28-21-14-11-18(12-15-21)6-4-9-19-7-2-3-8-20(19)13-16-22(25)24-30(26,27)23-10-5-17-29-23/h2-8,10-17H,9H2,1H3,(H,24,25)/b6-4+,16-13+
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193920
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C31H25NO4S2/c33-30(32-38(34,35)31-11-6-18-37-31)17-15-25-9-4-5-10-26(25)19-24-12-13-28-21-29(16-14-27(28)20-24)36-22-23-7-2-1-3-8-23/h1-18,20-21H,19,22H2,(H,32,33)/b17-15+
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193937
PNG
(3-(2-((E)-3-(4-methoxyphenyl)prop-1-enyl)phenyl)-N...)
Show SMILES COc1ccc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H21NO4S2/c1-28-21-14-11-18(12-15-21)6-4-9-19-7-2-3-8-20(19)13-16-22(25)24-30(26,27)23-10-5-17-29-23/h2-5,7-17H,6H2,1H3,(H,24,25)/b9-4+,16-13+
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2.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193926
PNG
(3-(2-(2-(2,6-dichlorobenzyloxy)-5-methylcinnamyl)p...)
Show SMILES Cc1ccc(OCc2c(Cl)cccc2Cl)c(\C=C\Cc2ccccc2\C=C\C(O)=O)c1
Show InChI InChI=1S/C26H22Cl2O3/c1-18-12-14-25(31-17-22-23(27)10-5-11-24(22)28)21(16-18)9-4-8-19-6-2-3-7-20(19)13-15-26(29)30/h2-7,9-16H,8,17H2,1H3,(H,29,30)/b9-4+,15-13+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159778
PNG
((E)-3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-meth...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O3/c1-18-7-4-11-21(26(18)31-17-22-23(27)13-6-14-24(22)28)12-5-10-19-8-2-3-9-20(19)15-16-25(29)30/h2-9,11-16H,10,17H2,1H3,(H,29,30)/b12-5+,16-15+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
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


(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))
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))
BDBM50193924
PNG
(3-(2-((6-(benzyloxy)naphthalen-2-yl)methyl)phenyl)...)
Show SMILES OC(=O)\C=C\c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C27H22O3/c28-27(29)15-13-22-8-4-5-9-23(22)16-21-10-11-25-18-26(14-12-24(25)17-21)30-19-20-6-2-1-3-7-20/h1-15,17-18H,16,19H2,(H,28,29)/b15-13+
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3.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
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))
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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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


(Homo sapiens (Human))
BDBM50193925
PNG
(3-(2-cinnamylphenyl)-N-(thiophen-2-ylsulfonyl)acry...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1C\C=C\c1ccccc1
Show InChI InChI=1S/C22H19NO3S2/c24-21(23-28(25,26)22-14-7-17-27-22)16-15-20-12-5-4-11-19(20)13-6-10-18-8-2-1-3-9-18/h1-12,14-17H,13H2,(H,23,24)/b10-6+,16-15+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
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


(Homo sapiens (Human))
BDBM50193930
PNG
(3-(2-((E)-3-phenylprop-1-enyl)phenyl)-N-(thiophen-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1ccccc1\C=C\Cc1ccccc1
Show InChI InChI=1S/C22H19NO3S2/c24-21(23-28(25,26)22-14-7-17-27-22)16-15-20-12-5-4-11-19(20)13-6-10-18-8-2-1-3-9-18/h1-9,11-17H,10H2,(H,23,24)/b13-6+,16-15+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
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 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))
BDBM50193922
PNG
(CHEMBL218071 | N-(5-bromo-2-methoxyphenylsulfonyl)...)
Show SMILES COc1ccc(Br)cc1S(=O)(=O)NC(=O)\C=C\c1ccccc1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
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6.90n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor in presence of HSA


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
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


(Homo sapiens (Human))
BDBM50159762
PNG
((E)-3-(2-{(E)-3-[2-(4-Fluoro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1OCc1ccc(F)cc1
Show InChI InChI=1S/C26H23FO3/c1-19-6-4-10-23(26(19)30-18-20-12-15-24(27)16-13-20)11-5-9-21-7-2-3-8-22(21)14-17-25(28)29/h2-8,10-17H,9,18H2,1H3,(H,28,29)/b11-5+,17-14+
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7n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
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
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
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 EP2 subtype


(Homo sapiens (Human))
BDBM50159763
PNG
((E)-3-{2-[(E)-2-(2-Benzyloxy-phenyl)-vinyl]-phenyl...)
Show SMILES OC(=O)\C=C\c1ccccc1\C=C\c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)14-15-22-12-6-7-13-23(22)27-18-19-8-2-1-3-9-19/h1-17H,18H2,(H,25,26)/b15-14+,17-16+
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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 for human prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159774
PNG
((E)-3-{2-[(E)-3-(4-Benzyloxy-3-methoxy-phenyl)-pro...)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H24O4/c1-29-25-18-20(14-16-24(25)30-19-21-8-3-2-4-9-21)10-7-13-22-11-5-6-12-23(22)15-17-26(27)28/h2-9,11-18H,10,19H2,1H3,(H,27,28)/b13-7+,17-15+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159774
PNG
((E)-3-{2-[(E)-3-(4-Benzyloxy-3-methoxy-phenyl)-pro...)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H24O4/c1-29-25-18-20(14-16-24(25)30-19-21-8-3-2-4-9-21)10-7-13-22-11-5-6-12-23(22)15-17-26(27)28/h2-9,11-18H,10,19H2,1H3,(H,27,28)/b13-7+,17-15+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193931
PNG
(3-(2-(4-(benzyloxy)-3-methoxycinnamyl)phenyl)acryl...)
Show SMILES COc1cc(\C=C\Cc2ccccc2\C=C\C(O)=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H24O4/c1-29-25-18-20(14-16-24(25)30-19-21-8-3-2-4-9-21)10-7-13-22-11-5-6-12-23(22)15-17-26(27)28/h2-12,14-18H,13,19H2,1H3,(H,27,28)/b10-7+,17-15+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193928
PNG
(3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-e...)
Show SMILES Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(O)=O)c1
Show InChI InChI=1S/C26H24O3/c1-20-14-16-25(29-19-21-8-3-2-4-9-21)24(18-20)13-7-12-22-10-5-6-11-23(22)15-17-26(27)28/h2-12,14-18H,13,19H2,1H3,(H,27,28)/b12-7+,17-15+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193929
PNG
(3-(2-(2-(benzyloxy)-5-methylcinnamyl)phenyl)acryli...)
Show SMILES Cc1ccc(OCc2ccccc2)c(\C=C\Cc2ccccc2\C=C\C(O)=O)c1
Show InChI InChI=1S/C26H24O3/c1-20-14-16-25(29-19-21-8-3-2-4-9-21)24(18-20)13-7-12-22-10-5-6-11-23(22)15-17-26(27)28/h2-11,13-18H,12,19H2,1H3,(H,27,28)/b13-7+,17-15+
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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 to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
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
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50370467
PNG
(CHEMBL1237295)
Show SMILES Cc1cccc(C\C=C\c2ccccc2\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/h2-15,17-18H,16,19H2,1H3,(H,27,28)/b14-8+,18-17+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159758
PNG
(3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(C(O)\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c1-17-6-4-9-20(26(17)32-16-21-22(27)10-5-11-23(21)28)24(29)14-12-18-7-2-3-8-19(18)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159773
PNG
(3-(2-{(E)-3-[2-(2,6-Dichloro-benzyloxy)-3-methyl-p...)
Show SMILES Cc1cccc(\C=C\C(O)c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c1-17-6-4-8-19(26(17)32-16-21-22(27)10-5-11-23(21)28)12-14-24(29)20-9-3-2-7-18(20)13-15-25(30)31/h2-15,24,29H,16H2,1H3,(H,30,31)/b14-12+,15-13+
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10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193927
PNG
(3-(2-((E)-3-(2-(benzyloxy)-5-methylphenyl)prop-1-e...)
Show SMILES Cc1ccc(OCc2ccccc2)c(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H27NO4S2/c1-23-16-18-28(35-22-24-9-3-2-4-10-24)27(21-23)14-7-13-25-11-5-6-12-26(25)17-19-29(32)31-37(33,34)30-15-8-20-36-30/h2-13,15-21H,14,22H2,1H3,(H,31,32)/b13-7+,19-17+
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10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50193933
PNG
(3-(2-(2-(benzyloxy)-5-methylcinnamyl)phenyl)-N-(th...)
Show SMILES Cc1ccc(OCc2ccccc2)c(\C=C\Cc2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C30H27NO4S2/c1-23-16-18-28(35-22-24-9-3-2-4-10-24)27(21-23)14-7-13-25-11-5-6-12-26(25)17-19-29(32)31-37(33,34)30-15-8-20-36-30/h2-12,14-21H,13,22H2,1H3,(H,31,32)/b14-7+,19-17+
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10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor


Bioorg Med Chem Lett 16: 5639-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.025
BindingDB Entry DOI: 10.7270/Q2NS0VQ6
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50159771
PNG
((E)-3-{2-[(E)-3-(2-Hydroxy-3-methyl-phenyl)-allyl]...)
Show SMILES Cc1cccc(\C=C\Cc2ccccc2\C=C\C(O)=O)c1O
Show InChI InChI=1S/C19H18O3/c1-14-6-4-10-17(19(14)22)11-5-9-15-7-2-3-8-16(15)12-13-18(20)21/h2-8,10-13,22H,9H2,1H3,(H,20,21)/b11-5+,13-12+
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10n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50370468
PNG
(CHEMBL1237296)
Show SMILES OC(=O)\C=C\c1ccccc1C\C=C/c1cccc(O)c1OCc1ccccc1
Show InChI InChI=1S/C25H22O4/c26-23-15-7-14-22(25(23)29-18-19-8-2-1-3-9-19)13-6-12-20-10-4-5-11-21(20)16-17-24(27)28/h1-11,13-17,26H,12,18H2,(H,27,28)/b13-6-,17-16+
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11n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
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


(Homo sapiens (Human))
BDBM50159761
PNG
((E)-3-{2-[3-(2-Benzyloxy-3-methyl-phenyl)-propyl]-...)
Show SMILES Cc1cccc(CCCc2ccccc2\C=C\C(O)=O)c1OCc1ccccc1
Show InChI InChI=1S/C26H26O3/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/h2-7,9-13,15,17-18H,8,14,16,19H2,1H3,(H,27,28)/b18-17+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50370472
PNG
(CHEMBL1237305)
Show SMILES OCc1cccc(C\C=C\c2ccccc2\C=C\C(O)=O)c1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H22Cl2O4/c27-23-12-5-13-24(28)22(23)17-32-26-20(10-4-11-21(26)16-29)9-3-8-18-6-1-2-7-19(18)14-15-25(30)31/h1-8,10-15,29H,9,16-17H2,(H,30,31)/b8-3+,15-14+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50370467
PNG
(CHEMBL1237295)
Show SMILES Cc1cccc(C\C=C\c2ccccc2\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/h2-15,17-18H,16,19H2,1H3,(H,27,28)/b14-8+,18-17+
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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 for human prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 527-30 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.051
BindingDB Entry DOI: 10.7270/Q26H4J51
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))
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
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