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Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'blouin' and Initial = 'm'   
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))
BDBM144433
PNG
(US8969394, 5)
Show SMILES C[C@H](NC(=O)c1c(Br)sc(Br)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16Br2ClNO3S/c1-11(13-5-7-14(8-6-13)21(27)28)25-20(26)17-16(18(22)29-19(17)23)10-12-3-2-4-15(24)9-12/h2-9,11H,10H2,1H3,(H,25,26)(H,27,28)/t11-/m0/s1
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US Patent
0.470 -53.2n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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US Patent
0.5 -53.1n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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Article
PubMed
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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM144440
PNG
(US8969394, 14)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nn[nH]n2)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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US Patent
0.600 -52.6n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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PubMed
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))
BDBM144447
PNG
(US8969394, 26)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nn[nH]n2)c1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-4-3-5-19(12-16)25(26,27)28)21(15(2)35-14)23(34)29-24(10-11-24)18-8-6-17(7-9-18)22-30-32-33-31-22/h3-9,12H,10-11,13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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US Patent
0.700 -52.3n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(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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Article
PubMed
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))
BDBM144432
PNG
(US8969394, 4)
Show SMILES C[C@H](NC(=O)c1csc(Br)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H17BrClNO3S/c1-12(14-5-7-15(8-6-14)21(26)27)24-20(25)18-11-28-19(22)17(18)10-13-3-2-4-16(23)9-13/h2-9,11-12H,10H2,1H3,(H,24,25)(H,26,27)/t12-/m0/s1
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US Patent
0.710 -52.2n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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PubMed
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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PubMed
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))
BDBM144445
PNG
(US8969394, 21)
Show SMILES C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H16Cl2F3NO3S/c1-11(13-5-7-14(8-6-13)21(30)31)28-20(29)17-16(18(23)32-19(17)24)10-12-3-2-4-15(9-12)22(25,26)27/h2-9,11H,10H2,1H3,(H,28,29)(H,30,31)/t11-/m0/s1
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US Patent
0.800 -51.9n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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US Patent
0.800 -51.9n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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 |r|
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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PubMed
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))
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 |r|
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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US Patent
0.900 -51.6n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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US Patent
0.900 -51.6n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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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PubMed
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
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 |r|
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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US Patent
1.30 -50.7n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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 |r|
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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PubMed
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))
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 |r|
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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US Patent
1.40 -50.5n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
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 |r|
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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM144436
PNG
(US8969394, 9)
Show SMILES C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(O)c1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16Cl3NO4S/c1-10(11-5-7-12(8-6-11)21(28)29)25-20(27)16-15(18(23)30-19(16)24)17(26)13-3-2-4-14(22)9-13/h2-10,17,26H,1H3,(H,25,27)(H,28,29)/t10-,17?/m0/s1
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US Patent
1.80 -49.9n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308127
PNG
(4-{(1S)-1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)be...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H22F3NO3S/c1-13(17-7-9-18(10-8-17)23(30)31)28-22(29)21-15(3)32-14(2)20(21)12-16-5-4-6-19(11-16)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,28,29)(H,30,31)/t13-/m0/s1
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US Patent
2.40 -49.2n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308127
PNG
(4-{(1S)-1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)be...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H22F3NO3S/c1-13(17-7-9-18(10-8-17)23(30)31)28-22(29)21-15(3)32-14(2)20(21)12-16-5-4-6-19(11-16)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,28,29)(H,30,31)/t13-/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
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))
BDBM144431
PNG
(US8969394, 2)
Show SMILES CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(cc1)-c1nn[nH]n1
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US Patent
2.60 -49.0n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308128
PNG
(4-[(1S)-1-({[4-(4-Chlorobenzyl)-2,5-dimethyl-3-thi...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1ccc(Cl)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H22ClNO3S/c1-13(17-6-8-18(9-7-17)23(27)28)25-22(26)21-15(3)29-14(2)20(21)12-16-4-10-19(24)11-5-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,27,28)/t13-/m0/s1
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2.90n/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 EP1 subtype


(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 EP1 subtype


(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 EP4 subtype


(Homo sapiens (Human))
BDBM50308126
PNG
(4-[(1S)-1-({[4-(3-Chlorobenzyl)-2,5-dimethyl-3-thi...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H22ClNO3S/c1-13(17-7-9-18(10-8-17)23(27)28)25-22(26)21-15(3)29-14(2)20(21)12-16-5-4-6-19(24)11-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,27,28)/t13-/m0/s1
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3.10n/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))
BDBM50308126
PNG
(4-[(1S)-1-({[4-(3-Chlorobenzyl)-2,5-dimethyl-3-thi...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H22ClNO3S/c1-13(17-7-9-18(10-8-17)23(27)28)25-22(26)21-15(3)29-14(2)20(21)12-16-5-4-6-19(24)11-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,27,28)/t13-/m0/s1
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US Patent
3.10 -48.6n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308128
PNG
(4-[(1S)-1-({[4-(4-Chlorobenzyl)-2,5-dimethyl-3-thi...)
Show SMILES C[C@H](NC(=O)c1c(C)sc(C)c1Cc1ccc(Cl)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H22ClNO3S/c1-13(17-6-8-18(9-7-17)23(27)28)25-22(26)21-15(3)29-14(2)20(21)12-16-4-10-19(24)11-5-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,27,28)/t13-/m0/s1
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US Patent
3.40 -48.3n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(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


(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


(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


(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


(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 EP4 subtype


(Homo sapiens (Human))
BDBM144430
PNG
(US8969394, 1)
Show SMILES CC(NC(=O)c1sc(Cl)cc1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H17Cl2NO3S/c1-12(14-5-7-15(8-6-14)21(26)27)24-20(25)19-16(11-18(23)28-19)9-13-3-2-4-17(22)10-13/h2-8,10-12H,9H2,1H3,(H,24,25)(H,26,27)
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US Patent
5.20 -47.3n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(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 EP1 subtype


(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))
BDBM50308124
PNG
(4-[(1S)-1-({[4-(3-Chlorobenzyl)-3-thienyl]carbonyl...)
Show SMILES C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO3S/c1-13(15-5-7-16(8-6-15)21(25)26)23-20(24)19-12-27-11-17(19)9-14-3-2-4-18(22)10-14/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26)/t13-/m0/s1
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6.40n/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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM144437
PNG
(US8969394, 10)
Show SMILES C[C@H](NC(=O)c1c(Cl)sc(Cl)c1C(=O)c1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H14Cl3NO4S/c1-10(11-5-7-12(8-6-11)21(28)29)25-20(27)16-15(18(23)30-19(16)24)17(26)13-3-2-4-14(22)9-13/h2-10H,1H3,(H,25,27)(H,28,29)/t10-/m0/s1
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US Patent
7.40 -46.4n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308124
PNG
(4-[(1S)-1-({[4-(3-Chlorobenzyl)-3-thienyl]carbonyl...)
Show SMILES C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO3S/c1-13(15-5-7-16(8-6-15)21(25)26)23-20(24)19-12-27-11-17(19)9-14-3-2-4-18(22)10-14/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26)/t13-/m0/s1
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US Patent
7.90 -46.2n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(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


(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 EP1 subtype


(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 EP1 subtype


(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 EP2 subtype


(Homo sapiens (Human))
BDBM50308124
PNG
(4-[(1S)-1-({[4-(3-Chlorobenzyl)-3-thienyl]carbonyl...)
Show SMILES C[C@H](NC(=O)c1cscc1Cc1cccc(Cl)c1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO3S/c1-13(15-5-7-16(8-6-15)21(25)26)23-20(24)19-12-27-11-17(19)9-14-3-2-4-18(22)10-14/h2-8,10-13H,9H2,1H3,(H,23,24)(H,25,26)/t13-/m0/s1
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16n/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 EP2 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 EP1 subtype


(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


(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 EP1 subtype


(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 EP4 subtype


(Homo sapiens (Human))
BDBM144446
PNG
(US8969394, 25)
Show SMILES Cc1sc(C)c(C(=O)NCc2ccc(C(O)=O)c(Cl)c2)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H19Cl2NO3S/c1-12-18(9-14-4-3-5-16(23)8-14)20(13(2)29-12)21(26)25-11-15-6-7-17(22(27)28)19(24)10-15/h3-8,10H,9,11H2,1-2H3,(H,25,26)(H,27,28)
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US Patent
30 -42.9n/an/an/an/an/a6.025



Merck Frosst Canada Ltd.

US Patent


Assay Description
Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of th...


US Patent US8969394 (2015)


BindingDB Entry DOI: 10.7270/Q24X56H8
More data for this
Ligand-Target Pair
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