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Compile Data Set for Download or QSAR

Found 99 hits of ec50 for UniProtKB: P43115   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50206016
PNG
(CHEMBL3889508)
Show SMILES CS(=O)(=O)NC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COc1ccccc1 |r|
Show InChI InChI=1S/C23H33NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-22,25-27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,21+,22-/m1/s1
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n/an/an/an/a 0.340n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138052
PNG
(CHEMBL3751951)
Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r|
Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454064
PNG
(CHEMBL4217198)
Show SMILES CCCC[C@](C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H29NO4S2/c1-3-4-10-20(2,25)11-5-6-14-7-8-17(22)15(14)9-12-26-19-21-16(13-27-19)18(23)24/h5-6,13-15,25H,3-4,7-12H2,1-2H3,(H,23,24)/b6-5+/t14-,15+,20-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50169552
PNG
(CHEMBL3804978)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C28H29N7O3/c1-36-16-17-37-23-9-7-21(8-10-23)33-11-13-34(14-12-33)22-5-2-4-20(18-22)24-19-26-31-27(25-6-3-15-38-25)32-35(26)28(29)30-24/h2-10,15,18-19H,11-14,16-17H2,1H3,(H2,29,30)
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n/an/an/an/a 0.800n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis

ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206028
PNG
(CHEMBL3967903)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C22H28O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,21-/m1/s1
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n/an/an/an/a 0.890n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454065
PNG
(CHEMBL4204996)
Show SMILES CCCCC[C@](C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C21H31NO4S2/c1-3-4-5-11-21(2,26)12-6-7-15-8-9-18(23)16(15)10-13-27-20-22-17(14-28-20)19(24)25/h6-7,14-16,26H,3-5,8-13H2,1-2H3,(H,24,25)/b7-6+/t15-,16+,21-/m0/s1
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n/an/an/an/a 0.910n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454060
PNG
(CHEMBL4208379)
Show SMILES C[C@@](O)(C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O)CC1CCCC1 |r|
Show InChI InChI=1S/C22H31NO4S2/c1-22(27,13-15-5-2-3-6-15)11-4-7-16-8-9-19(24)17(16)10-12-28-21-23-18(14-29-21)20(25)26/h4,7,14-17,27H,2-3,5-6,8-13H2,1H3,(H,25,26)/b7-4+/t16-,17+,22+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206022
PNG
(CHEMBL3947086)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCCC(O)=O)CO2 |r|
Show InChI InChI=1S/C23H32O6/c24-17(15-28-18-6-2-1-3-7-18)10-12-19-20-11-9-16(5-4-8-23(26)27)14-29-22(20)13-21(19)25/h1-3,6-7,10,12,16-17,19-22,24-25H,4-5,8-9,11,13-15H2,(H,26,27)/b12-10+/t16-,17-,19-,20-,21-,22+/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM35847
PNG
((15S)-prostaglandin E2 | (5Z,11alpha,13E,15S)-11,1...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis

ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454068
PNG
(CHEMBL4206444)
Show SMILES CCCCCC(C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C21H31NO4S2/c1-3-4-5-11-21(2,26)12-6-7-15-8-9-18(23)16(15)10-13-27-20-22-17(14-28-20)19(24)25/h6-7,14-16,26H,3-5,8-13H2,1-2H3,(H,24,25)/b7-6+/t15-,16+,21?/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454063
PNG
(CHEMBL4205480)
Show SMILES C[C@](O)(CCCCF)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28FNO4S2/c1-20(26,9-2-3-11-21)10-4-5-14-6-7-17(23)15(14)8-12-27-19-22-16(13-28-19)18(24)25/h4-5,13-15,26H,2-3,6-12H2,1H3,(H,24,25)/b5-4+/t14-,15+,20-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454069
PNG
(CHEMBL4209929)
Show SMILES CCCCCC(C)(O)C\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H28N2O5S2/c1-3-4-5-8-19(2,25)9-6-7-14-12-26-18(24)21(14)10-11-27-17-20-15(13-28-17)16(22)23/h6-7,13-14,25H,3-5,8-12H2,1-2H3,(H,22,23)/b7-6+/t14-,19?/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454067
PNG
(CHEMBL4211120)
Show SMILES CC(C)(C)CC[C@](C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C22H33NO4S2/c1-21(2,3)11-12-22(4,27)10-5-6-15-7-8-18(24)16(15)9-13-28-20-23-17(14-29-20)19(25)26/h5-6,14-16,27H,7-13H2,1-4H3,(H,25,26)/b6-5+/t15-,16+,22+/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454062
PNG
(CHEMBL4212770)
Show SMILES C[C@](O)(CCC(F)(F)F)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H24F3NO4S2/c1-18(27,8-9-19(20,21)22)7-2-3-12-4-5-15(24)13(12)6-10-28-17-23-14(11-29-17)16(25)26/h2-3,11-13,27H,4-10H2,1H3,(H,25,26)/b3-2+/t12-,13+,18+/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50169551
PNG
(CHEMBL3805134)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@H](CCCC(O)=O)O2 |r|
Show InChI InChI=1S/C22H25N7O3S/c1-15(2)33(30,31)28-10-8-27(9-11-28)17-6-3-5-16(13-17)18-14-20-25-21(19-7-4-12-32-19)26-29(20)22(23)24-18/h3-7,12-15H,8-11H2,1-2H3,(H2,23,24)
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n/an/an/an/a 3.60n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138051
PNG
(CHEMBL3753221)
Show SMILES CCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5S2/c1-2-3-7-20(8-4-9-20)16(23)6-5-14-12-27-19(26)22(14)10-11-28-18-21-15(13-29-18)17(24)25/h5-6,13-14,16,23H,2-4,7-12H2,1H3,(H,24,25)/b6-5+/t14-,16+/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206018
PNG
(CHEMBL3967855)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@H](CCCC(O)=O)CO2 |r|
Show InChI InChI=1S/C23H32O6/c24-17(15-28-18-6-2-1-3-7-18)10-12-19-20-11-9-16(5-4-8-23(26)27)14-29-22(20)13-21(19)25/h1-3,6-7,10,12,16-17,19-22,24-25H,4-5,8-9,11,13-15H2,(H,26,27)/b12-10+/t16-,17+,19+,20+,21+,22-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206020
PNG
(CHEMBL3982726)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCCC(O)=O)O2 |r|
Show InChI InChI=1S/C22H30O6/c23-15(14-27-16-5-2-1-3-6-16)9-11-18-19-12-10-17(7-4-8-22(25)26)28-21(19)13-20(18)24/h1-3,5-6,9,11,15,17-21,23-24H,4,7-8,10,12-14H2,(H,25,26)/b11-9+/t15-,17-,18-,19-,20-,21+/m1/s1
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n/an/an/an/a 4.10n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Dimer of Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM184625
PNG
(US9156810, 44)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C22H36O5/c1-4-5-8-11-16(23)14-15-18-17(20(26)22(2,3)21(18)27)12-9-6-7-10-13-19(24)25/h6,9,14-18,21,23,27H,4-5,7-8,10-13H2,1-3H3,(H,24,25)/b9-6-,15-14+/t16-,17+,18+,21-/m0/s1
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n/an/a 300n/a 4.60n/an/a7.44



Allergan, Inc.

US Patent


Assay Description
HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, EP3, or EP4 receptors were washed with TME buffer, scraped from the bot...

US Patent US9156810 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J5K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138050
PNG
(CHEMBL3752406)
Show SMILES CC(C)(CCCCF)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H27FN2O5S2/c1-19(2,7-3-4-8-20)15(23)6-5-13-11-27-18(26)22(13)9-10-28-17-21-14(12-29-17)16(24)25/h5-6,12-13,15,23H,3-4,7-11H2,1-2H3,(H,24,25)/b6-5+/t13-,15+/m0/s1
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n/an/an/an/a 4.70n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138046
PNG
(CHEMBL3752435)
Show SMILES CC(C)(C)CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C22H32N2O5S2/c1-21(2,3)9-10-22(7-4-8-22)17(25)6-5-15-13-29-20(28)24(15)11-12-30-19-23-16(14-31-19)18(26)27/h5-6,14-15,17,25H,4,7-13H2,1-3H3,(H,26,27)/b6-5+/t15-,17+/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138044
PNG
(CHEMBL3754197)
Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCC2CCCCC2)CCC1 |r|
Show InChI InChI=1S/C24H34N2O5S2/c27-20(24(10-4-11-24)12-9-17-5-2-1-3-6-17)8-7-18-15-31-23(30)26(18)13-14-32-22-25-19(16-33-22)21(28)29/h7-8,16-18,20,27H,1-6,9-15H2,(H,28,29)/b8-7+/t18-,20+/m0/s1
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n/an/an/an/a 7.40n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138102
PNG
(CHEMBL3752377)
Show SMILES CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H30N2O4S2/c1-4-5-10-20(2,3)16(23)8-6-14-7-9-17(24)22(14)11-12-27-19-21-15(13-28-19)18(25)26/h6,8,13-14,16,23H,4-5,7,9-12H2,1-3H3,(H,25,26)/b8-6+/t14-,16+/m0/s1
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n/an/an/an/a 8.40n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454066
PNG
(CHEMBL4214346)
Show SMILES CC(O)(C\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)CC1CCCCC1 |r|
Show InChI InChI=1S/C21H30N2O5S2/c1-21(27,12-15-6-3-2-4-7-15)9-5-8-16-13-28-20(26)23(16)10-11-29-19-22-17(14-30-19)18(24)25/h5,8,14-16,27H,2-4,6-7,9-13H2,1H3,(H,24,25)/b8-5+/t16-,21?/m0/s1
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n/an/an/an/a 8.80n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138052
PNG
(CHEMBL3751951)
Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r|
Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Dimer of Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM184624
PNG
(US9156810, 43)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C(C)(C)C(=O)[C@@H]1CC#CCCCC(O)=O
Show InChI InChI=1S/C22H34O5/c1-4-5-8-11-16(23)14-15-18-17(20(26)22(2,3)21(18)27)12-9-6-7-10-13-19(24)25/h14-18,21,23,27H,4-5,7-8,10-13H2,1-3H3,(H,24,25)/b15-14+/t16-,17+,18+,21-/m0/s1
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n/an/a 1.70E+3n/a 11n/an/a7.44



Allergan, Inc.

US Patent


Assay Description
HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, EP3, or EP4 receptors were washed with TME buffer, scraped from the bot...

US Patent US9156810 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J5K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206021
PNG
(CHEMBL3904644)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC=C(CCCCC(O)=O)CO2 |r,t:23|
Show InChI InChI=1S/C24H32O6/c25-18(16-29-19-7-2-1-3-8-19)11-13-20-21-12-10-17(6-4-5-9-24(27)28)15-30-23(21)14-22(20)26/h1-3,7-8,10-11,13,18,20-23,25-26H,4-6,9,12,14-16H2,(H,27,28)/b13-11+/t18-,20-,21-,22-,23+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454058
PNG
(CHEMBL4216182)
Show SMILES CCCCC[C@@](C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C21H31NO4S2/c1-3-4-5-11-21(2,26)12-6-7-15-8-9-18(23)16(15)10-13-27-20-22-17(14-28-20)19(24)25/h6-7,14-16,26H,3-5,8-13H2,1-2H3,(H,24,25)/b7-6+/t15-,16+,21+/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206026
PNG
(CHEMBL3920347)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CCC[C@H](CCC(O)=O)O2 |r|
Show InChI InChI=1S/C22H30O6/c23-15(14-27-16-5-2-1-3-6-16)9-11-18-19-8-4-7-17(10-12-22(25)26)28-21(19)13-20(18)24/h1-3,5-6,9,11,15,17-21,23-24H,4,7-8,10,12-14H2,(H,25,26)/b11-9+/t15-,17-,18-,19-,20-,21+/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138045
PNG
(CHEMBL3753268)
Show SMILES CC#CCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H24N2O5S2/c1-2-3-7-20(8-4-9-20)16(23)6-5-14-12-27-19(26)22(14)10-11-28-18-21-15(13-29-18)17(24)25/h5-6,13-14,16,23H,4,7-12H2,1H3,(H,24,25)/b6-5+/t14-,16+/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138053
PNG
(CHEMBL3753788)
Show SMILES COCCCC1(CCC1)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H28N2O6S2/c1-27-10-3-8-20(6-2-7-20)16(23)5-4-14-12-28-19(26)22(14)9-11-29-18-21-15(13-30-18)17(24)25/h4-5,13-14,16,23H,2-3,6-12H2,1H3,(H,24,25)/b5-4+/t14-,16+/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50248168
PNG
(3-(4-(2,4-dichlorophenoxy)-1-methyl-1H-indol-3-yl)...)
Show SMILES Cn1cc(\C=C\C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3Cl)cccc12
Show InChI InChI=1S/C24H16Cl2F2N2O4S/c1-30-13-14(5-10-23(31)29-35(32,33)16-7-8-18(27)19(28)12-16)24-20(30)3-2-4-22(24)34-21-9-6-15(25)11-17(21)26/h2-13H,1H3,(H,29,31)/b10-5+
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n/an/an/an/a 26.1n/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3-2 receptor expressed in CHOK1 cells

Bioorg Med Chem Lett 19: 1528-31 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.112
BindingDB Entry DOI: 10.7270/Q2JM29H0
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206012
PNG
(CHEMBL3956817)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CCC[C@@H](CCC(O)=O)O2 |r|
Show InChI InChI=1S/C22H30O6/c23-15(14-27-16-5-2-1-3-6-16)9-11-18-19-8-4-7-17(10-12-22(25)26)28-21(19)13-20(18)24/h1-3,5-6,9,11,15,17-21,23-24H,4,7-8,10,12-14H2,(H,25,26)/b11-9+/t15-,17+,18-,19-,20-,21+/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138055
PNG
(CHEMBL3753622)
Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCc2ccccc2)CCC1 |r|
Show InChI InChI=1S/C24H28N2O5S2/c27-20(24(10-4-11-24)12-9-17-5-2-1-3-6-17)8-7-18-15-31-23(30)26(18)13-14-32-22-25-19(16-33-22)21(28)29/h1-3,5-8,16,18,20,27H,4,9-15H2,(H,28,29)/b8-7+/t18-,20+/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454061
PNG
(CHEMBL4213312)
Show SMILES C[C@](O)(C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O)CC1CCCC1 |r|
Show InChI InChI=1S/C22H31NO4S2/c1-22(27,13-15-5-2-3-6-15)11-4-7-16-8-9-19(24)17(16)10-12-28-21-23-18(14-29-21)20(25)26/h4,7,14-17,27H,2-3,5-6,8-13H2,1H3,(H,25,26)/b7-4+/t16-,17+,22-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50454059
PNG
(CHEMBL4207054)
Show SMILES C[C@@H]1OC(=O)N(CCSc2nc(cs2)C(O)=O)[C@H]1\C=C\CC(C)(O)CC1CCCCC1 |r|
Show InChI InChI=1S/C22H32N2O5S2/c1-15-18(9-6-10-22(2,28)13-16-7-4-3-5-8-16)24(21(27)29-15)11-12-30-20-23-17(14-31-20)19(25)26/h6,9,14-16,18,28H,3-5,7-8,10-13H2,1-2H3,(H,25,26)/b9-6+/t15-,18-,22?/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM62356
PNG
(US9422273, 12b)
Show SMILES FC(F)(F)S(=O)(=O)NC(=O)CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C29H38ClF3N4O5S/c30-23-13-11-21(12-14-26(38)36-43(40,41)29(31,32)33)22(17-23)18-37-16-6-10-25(37)28-35-24(19-42-28)27(39)34-15-5-4-9-20-7-2-1-3-8-20/h11,13,17,19-20,25H,1-10,12,14-16,18H2,(H,34,39)(H,36,38)/t25-/m0/s1
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n/an/an/an/a 47n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138047
PNG
(CHEMBL3753853)
Show SMILES CCCCC(C)(C)[C@H](O)\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H28N2O5S2/c1-4-5-8-19(2,3)15(22)7-6-13-11-26-18(25)21(13)9-10-27-17-20-14(12-28-17)16(23)24/h6-7,12-13,15,22H,4-5,8-11H2,1-3H3,(H,23,24)/b7-6+/t13-,15+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Dimer of Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM184630
PNG
(US9156810, (52, 53))
Show SMILES CC1(C)[C@@H](O)[C@H](\C=C\C(O)CCc2ccccc2)[C@@H](C\C=C/CCCC(O)=O)C1=O
Show InChI InChI=1S/C25H34O5/c1-25(2)23(29)20(12-8-3-4-9-13-22(27)28)21(24(25)30)17-16-19(26)15-14-18-10-6-5-7-11-18/h3,5-8,10-11,16-17,19-21,24,26,30H,4,9,12-15H2,1-2H3,(H,27,28)/b8-3-,17-16+/t19?,20-,21-,24+/m1/s1
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n/an/an/an/a 60n/an/a7.44



Allergan, Inc.

US Patent


Assay Description
HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, EP3, or EP4 receptors were washed with TME buffer, scraped from the bot...

US Patent US9156810 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J5K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM238326
PNG
(US9394273, 15)
Show SMILES OC(Cc1ccc2ccsc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26O4S/c27-22(15-18-3-5-20-13-14-31-25(20)16-18)10-8-19-9-12-24(28)23(19)11-4-17-1-6-21(7-2-17)26(29)30/h1-3,5-8,10,13-14,16,19,22-23,27H,4,9,11-12,15H2,(H,29,30)/b10-8+/t19-,22?,23+/m0/s1
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n/an/an/an/a 67n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM240744
PNG
(US9422273, 12a)
Show SMILES Fc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C29H38F4N4O5S/c30-23-13-11-21(12-14-26(38)36-43(40,41)29(31,32)33)22(17-23)18-37-16-6-10-25(37)28-35-24(19-42-28)27(39)34-15-5-4-9-20-7-2-1-3-8-20/h11,13,17,19-20,25H,1-10,12,14-16,18H2,(H,34,39)(H,36,38)/t25-/m0/s1
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n/an/an/an/a 82n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM240745
PNG
(US9422273, 12c)
Show SMILES COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(co2)C(=O)NCCCCC2CCCCC2)c1 |r|
Show InChI InChI=1S/C30H41F3N4O6S/c1-42-24-14-12-22(13-15-27(38)36-44(40,41)30(31,32)33)23(18-24)19-37-17-7-11-26(37)29-35-25(20-43-29)28(39)34-16-6-5-10-21-8-3-2-4-9-21/h12,14,18,20-21,26H,2-11,13,15-17,19H2,1H3,(H,34,39)(H,36,38)/t26-/m0/s1
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n/an/an/an/a 100n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM240747
PNG
(US9422273, 12e)
Show SMILES CCCCCCCCNC(=O)c1coc(n1)[C@@H]1CCCN1Cc1cc(F)ccc1CCC(=O)NS(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H36F4N4O5S/c1-2-3-4-5-6-7-14-32-25(37)22-18-40-26(33-22)23-9-8-15-35(23)17-20-16-21(28)12-10-19(20)11-13-24(36)34-41(38,39)27(29,30)31/h10,12,16,18,23H,2-9,11,13-15,17H2,1H3,(H,32,37)(H,34,36)/t23-/m0/s1
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n/an/an/an/a 110n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50206023
PNG
(CHEMBL3976382)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)COc3ccccc3)[C@@]1([H])CC[C@@H](CCCCC(O)=O)CO2 |r|
Show InChI InChI=1S/C24H34O6/c25-18(16-29-19-7-2-1-3-8-19)11-13-20-21-12-10-17(6-4-5-9-24(27)28)15-30-23(21)14-22(20)26/h1-3,7-8,11,13,17-18,20-23,25-26H,4-6,9-10,12,14-16H2,(H,27,28)/b13-11+/t17-,18-,20-,21-,22-,23+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence...

ACS Med Chem Lett 8: 107-112 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00415
BindingDB Entry DOI: 10.7270/Q2R78H6S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM240746
PNG
(US9422273, 12d)
Show SMILES FC(F)(F)S(=O)(=O)NC(=O)CCc1cc2OCOc2cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C30H39F3N4O7S/c31-30(32,33)45(40,41)36-27(38)12-11-21-15-25-26(44-19-43-25)16-22(21)17-37-14-6-10-24(37)29-35-23(18-42-29)28(39)34-13-5-4-9-20-7-2-1-3-8-20/h15-16,18,20,24H,1-14,17,19H2,(H,34,39)(H,36,38)/t24-/m0/s1
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n/an/an/an/a 150n/an/a7.437



ALLERGAN, INC.

US Patent


Assay Description
Ca2+ signaling studies were performed using a FLIPR TETRA system (Molecular Devices, Sunnyvale, Calif., USA) in the 384-format. This is a high-throug...

US Patent US9422273 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ076K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM238319
PNG
(US9394273, 10 | US9394273, 8 | US9394273, 9)
Show SMILES OC(Cc1cccc(Br)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25BrO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 177n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM238319
PNG
(US9394273, 10 | US9394273, 8 | US9394273, 9)
Show SMILES OC(Cc1cccc(Br)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H25BrO4/c25-20-3-1-2-17(14-20)15-21(26)11-9-18-10-13-23(27)22(18)12-6-16-4-7-19(8-5-16)24(28)29/h1-5,7-9,11,14,18,21-22,26H,6,10,12-13,15H2,(H,28,29)/b11-9+/t18-,21?,22+/m0/s1
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n/an/an/an/a 180n/an/a7.4n/a



ALLERGAN, INC.

US Patent


Assay Description
Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in BiocoatiŽ Poly-D-lysine-coated black-wall, clear-bott...

US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50169548
PNG
(CHEMBL3805176)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\CCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H19N7O/c20-19-22-15(12-17-23-18(24-26(17)19)16-5-2-10-27-16)13-3-1-4-14(11-13)25-8-6-21-7-9-25/h1-5,10-12,21H,6-9H2,(H2,20,22)
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n/an/an/an/a 260n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis

ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50138101
PNG
(CHEMBL3754586)
Show SMILES CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H30N2O4S2/c1-3-4-5-14(2)12-16(23)8-6-15-7-9-18(24)22(15)10-11-27-20-21-17(13-28-20)19(25)26/h6,8,13-16,23H,3-5,7,9-12H2,1-2H3,(H,25,26)/b8-6+/t14-,15-,16+/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor

Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))		BDBM50169549
PNG
(CHEMBL3805169)
Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\CCCOc3ccccc3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C28H29N7O3/c1-36-15-16-37-23-8-3-7-22(18-23)34-12-10-33(11-13-34)21-6-2-5-20(17-21)24-19-26-31-27(25-9-4-14-38-25)32-35(26)28(29)30-24/h2-9,14,17-19H,10-13,15-16H2,1H3,(H2,29,30)
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n/an/an/an/a 360n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis

ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
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