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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'yu' and Initial = 'ww'   
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))		BDBM50520104
PNG
(CHEMBL4535971)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/b4-3+/t14-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human EP4 transfected in human HEK293 cells co transfected with SmBit-beta-arrestin. assessed as reduction in PGE2 induced-beta-arresti...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520069
PNG
(CHEMBL4457944)
Show SMILES C[C@H](NC(=O)c1c(nnn1CCOc1cccc(c1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H23F3N4O4/c1-17(18-10-12-20(13-11-18)26(36)37)31-25(35)24-23(19-6-3-2-4-7-19)32-33-34(24)14-15-38-22-9-5-8-21(16-22)27(28,29)30/h2-13,16-17H,14-15H2,1H3,(H,31,35)(H,36,37)/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520101
PNG
(CHEMBL4439228)
Show SMILES C[C@H](NC(=O)c1c(nnn1CCOc1ccc(F)cc1)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23FN4O4/c1-17(18-7-9-20(10-8-18)26(33)34)28-25(32)24-23(19-5-3-2-4-6-19)29-30-31(24)15-16-35-22-13-11-21(27)12-14-22/h2-14,17H,15-16H2,1H3,(H,28,32)(H,33,34)/t17-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520098
PNG
(CHEMBL4548291)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccc(C)s1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O3S/c1-14-3-12-20(36-14)21-22(23(33)29-15(2)17-6-8-18(9-7-17)24(34)35)32(31-30-21)13-16-4-10-19(11-5-16)25(26,27)28/h3-12,15H,13H2,1-2H3,(H,29,33)(H,34,35)/t15-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520104
PNG
(CHEMBL4535971)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/b4-3+/t14-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human EP4 transfected in human HEK293 cells co transfected with CRE-luciferase assessed as reduction in PGE2-induced luciferase express...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520104
PNG
(CHEMBL4535971)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/b4-3+/t14-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM119448
PNG
(US8686018, 107)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520086
PNG
(CHEMBL4463343)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H21F3N4O3/c1-16(18-9-11-20(12-10-18)25(35)36)30-24(34)23-22(19-5-3-2-4-6-19)31-32-33(23)15-17-7-13-21(14-8-17)26(27,28)29/h2-14,16H,15H2,1H3,(H,30,34)(H,35,36)/t16-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520114
PNG
(CHEMBL4462095)
Show SMILES COc1ccc(Cn2nnc(c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H24N4O4/c1-17(19-10-12-21(13-11-19)26(32)33)27-25(31)24-23(20-6-4-3-5-7-20)28-29-30(24)16-18-8-14-22(34-2)15-9-18/h3-15,17H,16H2,1-2H3,(H,27,31)(H,32,33)/t17-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520103
PNG
(CHEMBL4455965)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19F3N4O3/c1-2-3-18-19(20(30)26-12-14-4-8-16(9-5-14)21(31)32)29(28-27-18)13-15-6-10-17(11-7-15)22(23,24)25/h2-11H,12-13H2,1H3,(H,26,30)(H,31,32)/b3-2+
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n/an/a 11n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520097
PNG
(CHEMBL4564092)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccsc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H19F3N4O3S/c1-14(16-4-6-17(7-5-16)23(33)34)28-22(32)21-20(18-10-11-35-13-18)29-30-31(21)12-15-2-8-19(9-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,28,32)(H,33,34)/t14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520072
PNG
(CHEMBL4550862)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NCC1CCC(CC1)C(O)=O |(8.5,-22.36,;8.83,-23.87,;10.29,-24.35,;10.61,-25.86,;9.58,-27,;10.36,-28.33,;11.86,-28.01,;13,-29.04,;12.69,-30.55,;11.22,-31.02,;10.91,-32.52,;12.06,-33.55,;13.53,-33.06,;13.84,-31.56,;11.74,-35.06,;10.28,-35.54,;12.89,-36.08,;11.33,-36.54,;12.02,-26.48,;13.35,-25.7,;13.35,-24.16,;14.69,-26.48,;16.01,-25.7,;17.35,-26.47,;17.35,-28.02,;18.68,-28.79,;20.02,-28.02,;20.01,-26.47,;18.68,-25.7,;21.36,-28.78,;22.69,-28.01,;21.36,-30.33,)|
Show InChI InChI=1S/C22H25F3N4O3/c1-2-3-18-19(20(30)26-12-14-4-8-16(9-5-14)21(31)32)29(28-27-18)13-15-6-10-17(11-7-15)22(23,24)25/h2-3,6-7,10-11,14,16H,4-5,8-9,12-13H2,1H3,(H,26,30)(H,31,32)/b3-2+
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n/an/a 14n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520100
PNG
(CHEMBL4576681)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21F3N4O3/c1-2-3-19-20(31(30-29-19)14-15-4-8-18(9-5-15)24(25,26)27)21(32)28-23(12-13-23)17-10-6-16(7-11-17)22(33)34/h2-11H,12-14H2,1H3,(H,28,32)(H,33,34)/b3-2+
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n/an/a 14n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520104
PNG
(CHEMBL4535971)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/b4-3+/t14-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520104
PNG
(CHEMBL4535971)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/b4-3+/t14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human EP4 transfected in human HEK293 cells assessed as reduction in PGE2-induced cAMP level incubated for 15 mins followed by PGE2 sti...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520110
PNG
(CHEMBL4569593)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1cccc(c1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H21F3N4O3/c1-16(18-10-12-20(13-11-18)25(35)36)30-24(34)23-22(19-7-3-2-4-8-19)31-32-33(23)15-17-6-5-9-21(14-17)26(27,28)29/h2-14,16H,15H2,1H3,(H,30,34)(H,35,36)/t16-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520097
PNG
(CHEMBL4564092)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccsc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H19F3N4O3S/c1-14(16-4-6-17(7-5-16)23(33)34)28-22(32)21-20(18-10-11-35-13-18)29-30-31(21)12-15-2-8-19(9-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,28,32)(H,33,34)/t14-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520102
PNG
(CHEMBL4453648)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1=CCCC1)c1ccc(cc1)C(O)=O |r,t:23|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-8-10-19(11-9-17)24(34)35)29-23(33)22-21(18-4-2-3-5-18)30-31-32(22)14-16-6-12-20(13-7-16)25(26,27)28/h4,6-13,15H,2-3,5,14H2,1H3,(H,29,33)(H,34,35)/t15-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520090
PNG
(CHEMBL4442135)
Show SMILES COc1ccc(Cn2nnc(c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)-c2ccccc2)cc1F |r|
Show InChI InChI=1S/C26H23FN4O4/c1-16(18-9-11-20(12-10-18)26(33)34)28-25(32)24-23(19-6-4-3-5-7-19)29-30-31(24)15-17-8-13-22(35-2)21(27)14-17/h3-14,16H,15H2,1-2H3,(H,28,32)(H,33,34)/t16-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520073
PNG
(CHEMBL4591792)
Show SMILES CC#Cc1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H19F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h5-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/t14-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520100
PNG
(CHEMBL4576681)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H21F3N4O3/c1-2-3-19-20(31(30-29-19)14-15-4-8-18(9-5-15)24(25,26)27)21(32)28-23(12-13-23)17-10-6-16(7-11-17)22(33)34/h2-11H,12-14H2,1H3,(H,28,32)(H,33,34)/b3-2+
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n/an/a 34n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520098
PNG
(CHEMBL4548291)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccc(C)s1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H21F3N4O3S/c1-14-3-12-20(36-14)21-22(23(33)29-15(2)17-6-8-18(9-7-17)24(34)35)32(31-30-21)13-16-4-10-19(11-5-16)25(26,27)28/h3-12,15H,13H2,1-2H3,(H,29,33)(H,34,35)/t15-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520071
PNG
(CHEMBL4440382)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccoc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H19F3N4O4/c1-14(16-4-6-17(7-5-16)23(33)34)28-22(32)21-20(18-10-11-35-13-18)29-30-31(21)12-15-2-8-19(9-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,28,32)(H,33,34)/t14-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520091
PNG
(CHEMBL4574900)
Show SMILES C[C@H](NC(=O)c1c(nnn1CCOc1ccc(cc1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H23F3N4O4/c1-17(18-7-9-20(10-8-18)26(36)37)31-25(35)24-23(19-5-3-2-4-6-19)32-33-34(24)15-16-38-22-13-11-21(12-14-22)27(28,29)30/h2-14,17H,15-16H2,1H3,(H,31,35)(H,36,37)/t17-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520112
PNG
(CHEMBL4519666)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1CC1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-13(15-4-8-17(9-5-15)22(32)33)27-21(31)20-19(16-6-7-16)28-29-30(20)12-14-2-10-18(11-3-14)23(24,25)26/h2-5,8-11,13,16H,6-7,12H2,1H3,(H,27,31)(H,32,33)/t13-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520071
PNG
(CHEMBL4440382)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccoc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H19F3N4O4/c1-14(16-4-6-17(7-5-16)23(33)34)28-22(32)21-20(18-10-11-35-13-18)29-30-31(21)12-15-2-8-19(9-3-15)24(25,26)27/h2-11,13-14H,12H2,1H3,(H,28,32)(H,33,34)/t14-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520070
PNG
(CHEMBL4568156)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H20F4N4O3/c1-15(17-4-6-19(7-5-17)25(36)37)31-24(35)23-22(18-8-12-21(27)13-9-18)32-33-34(23)14-16-2-10-20(11-3-16)26(28,29)30/h2-13,15H,14H2,1H3,(H,31,35)(H,36,37)/t15-/m0/s1
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East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520119
PNG
(CHEMBL4466382)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1CCCC1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H25F3N4O3/c1-15(17-8-10-19(11-9-17)24(34)35)29-23(33)22-21(18-4-2-3-5-18)30-31-32(22)14-16-6-12-20(13-7-16)25(26,27)28/h6-13,15,18H,2-5,14H2,1H3,(H,29,33)(H,34,35)/t15-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520109
PNG
(CHEMBL4562090)
Show SMILES CCCc1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H23F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h5-12,14H,3-4,13H2,1-2H3,(H,27,31)(H,32,33)/t14-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520073
PNG
(CHEMBL4591792)
Show SMILES CC#Cc1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H19F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h5-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/t14-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520094
PNG
(CHEMBL4589657)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1CCC1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H23F3N4O3/c1-14(16-7-9-18(10-8-16)23(33)34)28-22(32)21-20(17-3-2-4-17)29-30-31(21)13-15-5-11-19(12-6-15)24(25,26)27/h5-12,14,17H,2-4,13H2,1H3,(H,28,32)(H,33,34)/t14-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520089
PNG
(CHEMBL4455816)
Show SMILES COc1cccc(Cn2nnc(c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)-c2ccccc2)c1 |r|
Show InChI InChI=1S/C26H24N4O4/c1-17(19-11-13-21(14-12-19)26(32)33)27-25(31)24-23(20-8-4-3-5-9-20)28-29-30(24)16-18-7-6-10-22(15-18)34-2/h3-15,17H,16H2,1-2H3,(H,27,31)(H,32,33)/t17-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520111
PNG
(CHEMBL4544033)
Show SMILES COc1ccc(Cn2nnc(c2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)-c2ccccc2)cc1OC |r|
Show InChI InChI=1S/C27H26N4O5/c1-17(19-10-12-21(13-11-19)27(33)34)28-26(32)25-24(20-7-5-4-6-8-20)29-30-31(25)16-18-9-14-22(35-2)23(15-18)36-3/h4-15,17H,16H2,1-3H3,(H,28,32)(H,33,34)/t17-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520096
PNG
(CHEMBL4553892)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1=CCOCC1)c1ccc(cc1)C(O)=O |r,t:23|
Show InChI InChI=1S/C25H23F3N4O4/c1-15(17-4-6-19(7-5-17)24(34)35)29-23(33)22-21(18-10-12-36-13-11-18)30-31-32(22)14-16-2-8-20(9-3-16)25(26,27)28/h2-10,15H,11-14H2,1H3,(H,29,33)(H,34,35)/t15-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520103
PNG
(CHEMBL4455965)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19F3N4O3/c1-2-3-18-19(20(30)26-12-14-4-8-16(9-5-14)21(31)32)29(28-27-18)13-15-6-10-17(11-7-15)22(23,24)25/h2-11H,12-13H2,1H3,(H,26,30)(H,31,32)/b3-2+
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n/an/a 130n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520101
PNG
(CHEMBL4439228)
Show SMILES C[C@H](NC(=O)c1c(nnn1CCOc1ccc(F)cc1)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H23FN4O4/c1-17(18-7-9-20(10-8-18)26(33)34)28-25(32)24-23(19-5-3-2-4-6-19)29-30-31(24)15-16-35-22-13-11-21(27)12-14-22/h2-14,17H,15-16H2,1H3,(H,28,32)(H,33,34)/t17-/m0/s1
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n/an/a 132n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520069
PNG
(CHEMBL4457944)
Show SMILES C[C@H](NC(=O)c1c(nnn1CCOc1cccc(c1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H23F3N4O4/c1-17(18-10-12-20(13-11-18)26(36)37)31-25(35)24-23(19-6-3-2-4-7-19)32-33-34(24)14-15-38-22-9-5-8-21(16-22)27(28,29)30/h2-13,16-17H,14-15H2,1H3,(H,31,35)(H,36,37)/t17-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520088
PNG
(CHEMBL4448318)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(F)c(F)c1)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H20F2N4O3/c1-15(17-8-10-19(11-9-17)25(33)34)28-24(32)23-22(18-5-3-2-4-6-18)29-30-31(23)14-16-7-12-20(26)21(27)13-16/h2-13,15H,14H2,1H3,(H,28,32)(H,33,34)/t15-/m0/s1
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n/an/a 148n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520095
PNG
(CHEMBL4545487)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1CCCCC1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H27F3N4O3/c1-16(18-9-11-20(12-10-18)25(35)36)30-24(34)23-22(19-5-3-2-4-6-19)31-32-33(23)15-17-7-13-21(14-8-17)26(27,28)29/h7-14,16,19H,2-6,15H2,1H3,(H,30,34)(H,35,36)/t16-/m0/s1
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n/an/a 161n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM119448
PNG
(US8686018, 107)
Show SMILES C[C@H](NC(=O)c1c(nn(C)c1Oc1cccc(c1)C(F)(F)F)C(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C22H18F5N3O4/c1-11(12-6-8-13(9-7-12)21(32)33)28-19(31)16-17(18(23)24)29-30(2)20(16)34-15-5-3-4-14(10-15)22(25,26)27/h3-11,18H,1-2H3,(H,28,31)(H,32,33)/t11-/m0/s1
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n/an/a 181n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520118
PNG
(CHEMBL4573602)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1=CCCCC1)c1ccc(cc1)C(O)=O |r,t:23|
Show InChI InChI=1S/C26H25F3N4O3/c1-16(18-9-11-20(12-10-18)25(35)36)30-24(34)23-22(19-5-3-2-4-6-19)31-32-33(23)15-17-7-13-21(14-8-17)26(27,28)29/h5,7-14,16H,2-4,6,15H2,1H3,(H,30,34)(H,35,36)/t16-/m0/s1
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n/an/a 183n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520072
PNG
(CHEMBL4550862)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NCC1CCC(CC1)C(O)=O |(8.5,-22.36,;8.83,-23.87,;10.29,-24.35,;10.61,-25.86,;9.58,-27,;10.36,-28.33,;11.86,-28.01,;13,-29.04,;12.69,-30.55,;11.22,-31.02,;10.91,-32.52,;12.06,-33.55,;13.53,-33.06,;13.84,-31.56,;11.74,-35.06,;10.28,-35.54,;12.89,-36.08,;11.33,-36.54,;12.02,-26.48,;13.35,-25.7,;13.35,-24.16,;14.69,-26.48,;16.01,-25.7,;17.35,-26.47,;17.35,-28.02,;18.68,-28.79,;20.02,-28.02,;20.01,-26.47,;18.68,-25.7,;21.36,-28.78,;22.69,-28.01,;21.36,-30.33,)|
Show InChI InChI=1S/C22H25F3N4O3/c1-2-3-18-19(20(30)26-12-14-4-8-16(9-5-14)21(31)32)29(28-27-18)13-15-6-10-17(11-7-15)22(23,24)25/h2-3,6-7,10-11,14,16H,4-5,8-9,12-13H2,1H3,(H,26,30)(H,31,32)/b3-2+
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n/an/a 220n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520082
PNG
(CHEMBL4450391)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H16F6N4O3/c1-11(13-4-6-14(7-5-13)19(33)34)28-18(32)16-17(21(25,26)27)29-30-31(16)10-12-2-8-15(9-3-12)20(22,23)24/h2-9,11H,10H2,1H3,(H,28,32)(H,33,34)/t11-/m0/s1
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n/an/a 225n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520108
PNG
(CHEMBL4468734)
Show SMILES C[C@H](NC(=O)c1c(nnn1CCOc1ccc(F)cc1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18F4N4O4/c1-12(13-2-4-14(5-3-13)20(31)32)26-19(30)17-18(21(23,24)25)27-28-29(17)10-11-33-16-8-6-15(22)7-9-16/h2-9,12H,10-11H2,1H3,(H,26,30)(H,31,32)/t12-/m0/s1
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n/an/a 276n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520087
PNG
(CHEMBL4443888)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(F)cc1)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H21FN4O3/c1-16(18-9-11-20(12-10-18)25(32)33)27-24(31)23-22(19-5-3-2-4-6-19)28-29-30(23)15-17-7-13-21(26)14-8-17/h2-14,16H,15H2,1H3,(H,27,31)(H,32,33)/t16-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520102
PNG
(CHEMBL4453648)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)C1=CCCC1)c1ccc(cc1)C(O)=O |r,t:23|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-8-10-19(11-9-17)24(34)35)29-23(33)22-21(18-4-2-3-5-18)30-31-32(22)14-16-6-12-20(13-7-16)25(26,27)28/h4,6-13,15H,2-3,5,14H2,1H3,(H,29,33)(H,34,35)/t15-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520115
PNG
(CHEMBL4442888)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccccc1)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H22N4O3/c1-17(19-12-14-21(15-13-19)25(31)32)26-24(30)23-22(20-10-6-3-7-11-20)27-28-29(23)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,26,30)(H,31,32)/t17-/m0/s1
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n/an/a 647n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))		BDBM50520086
PNG
(CHEMBL4463343)
Show SMILES C[C@H](NC(=O)c1c(nnn1Cc1ccc(cc1)C(F)(F)F)-c1ccccc1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H21F3N4O3/c1-16(18-9-11-20(12-10-18)25(35)36)30-24(34)23-22(19-5-3-2-4-6-19)31-32-33(23)15-17-7-13-21(14-8-17)26(27,28)29/h2-14,16H,15H2,1H3,(H,30,34)(H,35,36)/t16-/m0/s1
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n/an/a 906n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520113
PNG
(CHEMBL4440611)
Show SMILES C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)N[C@H](C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3-12,14H,13H2,1-2H3,(H,27,31)(H,32,33)/b4-3+/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))		BDBM50520099
PNG
(CHEMBL4563586)
Show SMILES C[C@H](NC(=O)c1c(CC=C)nnn1Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21F3N4O3/c1-3-4-19-20(21(31)27-14(2)16-7-9-17(10-8-16)22(32)33)30(29-28-19)13-15-5-11-18(12-6-15)23(24,25)26/h3,5-12,14H,1,4,13H2,2H3,(H,27,31)(H,32,33)/t14-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins follow...

J Med Chem 63: 569-590 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01269
BindingDB Entry DOI: 10.7270/Q2N58QRT
More data for this
Ligand-Target Pair
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