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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'harder' and Initial = 's'   
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 EP3 subtype


(Homo sapiens (Human))
BDBM50394646
PNG
(CHEMBL2164608)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394647
PNG
(CHEMBL2164610)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C27H25N3O8/c1-37-26-17-19(5-4-8-20-6-2-3-7-21(20)10-14-27(31)32)9-13-25(26)38-16-15-28-23-12-11-22(29(33)34)18-24(23)30(35)36/h2-4,6-14,17-18,28H,5,15-16H2,1H3,(H,31,32)/b8-4+,14-10+
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23.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394645
PNG
(CHEMBL2164609)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C34H29N3O5S2/c1-41-32-22-25(15-17-31(32)42-20-19-37-24-28-11-4-5-13-29(28)30(37)23-35)8-6-12-26-9-2-3-10-27(26)16-18-33(38)36-44(39,40)34-14-7-21-43-34/h2-7,9-18,21-22,24H,8,19-20H2,1H3,(H,36,38)/b12-6+,18-16+
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394644
PNG
(CHEMBL2164612)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C
Show InChI InChI=1S/C40H42N2O4/c1-30-27-34(12-7-6-11-32-17-21-37(22-18-32)41(3)4)28-31(2)42(30)25-26-46-38-23-19-33(29-39(38)45-5)13-10-16-35-14-8-9-15-36(35)20-24-40(43)44/h6-12,14-24,27-29H,13,25-26H2,1-5H3/p+1/b16-10+,24-20+
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135n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394648
PNG
(CHEMBL2164611)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCC[n+]1c(C)cc(\C=C\c2ccc(cc2)N(C)C)cc1C
Show InChI InChI=1S/C38H40N2O4/c1-28-25-32(14-13-30-15-19-35(20-16-30)39(3)4)26-29(2)40(28)23-24-44-36-21-17-31(27-37(36)43-5)9-8-12-33-10-6-7-11-34(33)18-22-38(41)42/h6-8,10-22,25-27H,9,23-24H2,1-5H3/p+1/b12-8+,22-18+
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219n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394649
PNG
(CHEMBL2164613)
Show SMILES COc1cc(C\C=C\c2ccccc2C=CC(O)=O)ccc1OCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |w:14.14,(66.15,-44.12,;64.82,-43.36,;64.81,-41.82,;66.15,-41.04,;66.14,-39.5,;67.47,-38.73,;68.81,-39.5,;68.81,-41.04,;70.14,-41.81,;70.14,-43.35,;71.48,-44.12,;72.81,-43.35,;72.81,-41.81,;71.46,-41.04,;71.46,-39.5,;72.8,-38.73,;72.8,-37.19,;74.13,-36.42,;71.46,-36.42,;64.8,-38.74,;63.47,-39.51,;63.48,-41.05,;62.15,-41.82,;60.81,-41.06,;59.48,-41.83,;58.14,-41.06,;56.81,-41.83,;56.82,-43.37,;55.48,-41.07,;54.14,-41.84,;52.81,-41.07,;51.48,-41.84,;51.48,-43.38,;52.82,-44.15,;54.15,-43.38,;53.08,-45.67,;54.42,-46.43,;51.91,-46.66,;49.35,-44.62,;48.01,-43.85,;48.01,-42.31,;46.67,-41.55,;45.34,-42.32,;44.01,-41.55,;45.35,-43.86,;46.68,-44.63,;46.69,-46.17,;48.02,-46.94,;48.02,-48.48,;49.36,-49.24,;49.36,-50.78,;50.69,-48.47,;50.68,-46.93,;49.35,-46.16,)|
Show InChI InChI=1S/C42H34N2O9S/c1-51-38-21-25(5-4-8-26-6-2-3-7-27(26)10-18-39(47)48)9-17-35(38)52-20-19-43-42(54)44-28-11-14-31(34(22-28)41(49)50)40-32-15-12-29(45)23-36(32)53-37-24-30(46)13-16-33(37)40/h2-4,6-18,21-24,45H,5,19-20H2,1H3,(H,47,48)(H,49,50)(H2,43,44,54)/b8-4+,18-10?
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678n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50394644
PNG
(CHEMBL2164612)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C
Show InChI InChI=1S/C40H42N2O4/c1-30-27-34(12-7-6-11-32-17-21-37(22-18-32)41(3)4)28-31(2)42(30)25-26-46-38-23-19-33(29-39(38)45-5)13-10-16-35-14-8-9-15-36(35)20-24-40(43)44/h6-12,14-24,27-29H,13,25-26H2,1-5H3/p+1/b16-10+,24-20+
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902n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394650
PNG
(CHEMBL2164614)
Show SMILES COc1cc(C\C=C\c2ccccc2C=CC(O)=O)ccc1OCCNC(=S)Nc1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |w:14.14,(31.57,-56.82,;30.24,-56.05,;30.24,-54.51,;31.57,-53.74,;31.57,-52.2,;32.91,-51.43,;34.24,-52.2,;35.58,-51.43,;36.91,-52.2,;36.91,-53.74,;38.24,-54.51,;39.58,-53.74,;39.58,-52.2,;38.24,-51.43,;38.24,-49.89,;39.58,-49.12,;39.58,-47.58,;40.91,-46.81,;38.24,-46.81,;30.24,-51.43,;28.91,-52.2,;28.91,-53.74,;27.57,-54.51,;26.24,-53.74,;24.91,-54.51,;23.58,-53.74,;22.25,-54.51,;22.25,-56.05,;20.9,-53.74,;19.58,-54.51,;19.58,-56.05,;18.24,-56.82,;16.91,-56.05,;15.58,-56.89,;15.58,-58.43,;14.25,-56.12,;16.91,-54.51,;18.24,-53.74,;14.78,-53.28,;14.78,-51.74,;16.11,-50.97,;16.11,-49.43,;14.78,-48.66,;14.78,-47.12,;13.44,-49.43,;13.44,-50.97,;12.11,-51.74,;12.11,-53.28,;10.77,-54.05,;10.77,-55.59,;9.44,-56.36,;12.11,-56.36,;13.44,-55.59,;13.44,-54.05,)|
Show InChI InChI=1S/C42H34N2O9S/c1-51-38-21-25(5-4-8-26-6-2-3-7-27(26)10-18-39(47)48)9-17-35(38)52-20-19-43-42(54)44-28-11-14-31(41(49)50)34(22-28)40-32-15-12-29(45)23-36(32)53-37-24-30(46)13-16-33(37)40/h2-4,6-18,21-24,45H,5,19-20H2,1H3,(H,47,48)(H,49,50)(H2,43,44,54)/b8-4+,18-10?
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1.26E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50394651
PNG
(CHEMBL2164607)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCN
Show InChI InChI=1S/C21H23NO4/c1-25-20-15-16(9-11-19(20)26-14-13-22)5-4-8-17-6-2-3-7-18(17)10-12-21(23)24/h2-4,6-12,15H,5,13-14,22H2,1H3,(H,23,24)/b8-4+,12-10+
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(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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1.73E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(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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2.42E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(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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2.44E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50394644
PNG
(CHEMBL2164612)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C
Show InChI InChI=1S/C40H42N2O4/c1-30-27-34(12-7-6-11-32-17-21-37(22-18-32)41(3)4)28-31(2)42(30)25-26-46-38-23-19-33(29-39(38)45-5)13-10-16-35-14-8-9-15-36(35)20-24-40(43)44/h6-12,14-24,27-29H,13,25-26H2,1-5H3/p+1/b16-10+,24-20+
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2.94E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50394646
PNG
(CHEMBL2164608)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+
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3.18E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50394646
PNG
(CHEMBL2164608)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+
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4.26E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(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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4.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(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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6.31E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50394645
PNG
(CHEMBL2164609)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C34H29N3O5S2/c1-41-32-22-25(15-17-31(32)42-20-19-37-24-28-11-4-5-13-29(28)30(37)23-35)8-6-12-26-9-2-3-10-27(26)16-18-33(38)36-44(39,40)34-14-7-21-43-34/h2-7,9-18,21-22,24H,8,19-20H2,1H3,(H,36,38)/b12-6+,18-16+
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9.45E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50394645
PNG
(CHEMBL2164609)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C34H29N3O5S2/c1-41-32-22-25(15-17-31(32)42-20-19-37-24-28-11-4-5-13-29(28)30(37)23-35)8-6-12-26-9-2-3-10-27(26)16-18-33(38)36-44(39,40)34-14-7-21-43-34/h2-7,9-18,21-22,24H,8,19-20H2,1H3,(H,36,38)/b12-6+,18-16+
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1.08E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50394646
PNG
(CHEMBL2164608)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50394645
PNG
(CHEMBL2164609)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(=O)NS(=O)(=O)c2cccs2)ccc1OCCn1cc2ccccc2c1C#N
Show InChI InChI=1S/C34H29N3O5S2/c1-41-32-22-25(15-17-31(32)42-20-19-37-24-28-11-4-5-13-29(28)30(37)23-35)8-6-12-26-9-2-3-10-27(26)16-18-33(38)36-44(39,40)34-14-7-21-43-34/h2-7,9-18,21-22,24H,8,19-20H2,1H3,(H,36,38)/b12-6+,18-16+
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2.03E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50394644
PNG
(CHEMBL2164612)
Show SMILES COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C
Show InChI InChI=1S/C40H42N2O4/c1-30-27-34(12-7-6-11-32-17-21-37(22-18-32)41(3)4)28-31(2)42(30)25-26-46-38-23-19-33(29-39(38)45-5)13-10-16-35-14-8-9-15-36(35)20-24-40(43)44/h6-12,14-24,27-29H,13,25-26H2,1-5H3/p+1/b16-10+,24-20+
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6.86E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(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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1.51E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting


ACS Med Chem Lett 3: 774-779 (2012)


Article DOI: 10.1021/ml300191g
BindingDB Entry DOI: 10.7270/Q2DZ09D3
More data for this
Ligand-Target Pair