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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'colombo' and Initial = 'jm'   
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))
BDBM190273
PNG
(US9180116, 21C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H27F2NO4/c1-2-3-4-5-18(25)11-10-17-14-21(22,23)20(28)24(17)13-12-15-6-8-16(9-7-15)19(26)27/h6-11,17-18,25H,2-5,12-14H2,1H3,(H,26,27)/b11-10+/t17-,18-/m0/s1
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0.0820n/a 0.220n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190282
PNG
(US9180116, 33C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O
Show InChI InChI=1S/C20H27F2NO4S/c1-2-3-4-6-15(24)9-8-14-13-20(21,22)19(27)23(14)12-5-7-16-10-11-17(28-16)18(25)26/h8-11,14-15,24H,2-7,12-13H2,1H3,(H,25,26)/b9-8+/t14-,15-/m0/s1
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0.100n/a 0.280n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 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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0.110n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190272
PNG
(US9180116, 12D)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H27F2NO4/c1-3-4-5-6-16(2)20(27)12-11-19-15-23(24,25)22(30)26(19)14-13-17-7-9-18(10-8-17)21(28)29/h7-12,16,19-20,27H,3,6,13-15H2,1-2H3,(H,28,29)/b12-11+/t16-,19-,20+/m0/s1
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0.120n/a 0.320n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50101822
PNG
((Z)-7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-o...)
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-/m1/s1
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0.140n/a 0.380n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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0.210n/a 0.570n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190275
PNG
(US9180116, 28C | US9180116, 28H)
Show SMILES C[C@@H](CCCc1ccccc1)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O
Show InChI InChI=1S/C26H31F2NO4S/c1-18(7-5-10-19-8-3-2-4-9-19)22(30)14-12-20-17-26(27,28)25(33)29(20)16-6-11-21-13-15-23(34-21)24(31)32/h2-4,8-9,12-15,18,20,22,30H,5-7,10-11,16-17H2,1H3,(H,31,32)/b14-12+/t18-,20-,22+/m0/s1
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0.280n/a 0.740n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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0.378n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50101858
PNG
(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
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0.396n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190267
PNG
(US9180116, 1F)
Show SMILES CC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C20H29F2NO4/c1-3-4-9-15(2)17(24)12-11-16-14-20(21,22)19(27)23(16)13-8-6-5-7-10-18(25)26/h11-12,15-17,24H,5-10,13-14H2,1-2H3,(H,25,26)/b12-11+/t15-,16-,17+/m0/s1
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0.440n/a 1.20n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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0.490n/a 1.30n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190269
PNG
(US9180116, 6D)
Show SMILES C[C@@H](CCCc1ccccc1)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C25H35F2NO4/c1-19(10-9-13-20-11-5-4-6-12-20)22(29)16-15-21-18-25(26,27)24(32)28(21)17-8-3-2-7-14-23(30)31/h4-6,11-12,15-16,19,21-22,29H,2-3,7-10,13-14,17-18H2,1H3,(H,30,31)/b16-15+/t19-,21-,22+/m0/s1
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0.890n/a 2.40n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 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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1n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190274
PNG
(US9180116, 24D)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(s1)C(O)=O
Show InChI InChI=1S/C22H27F2NO4S/c1-3-4-5-7-15(2)18(26)11-9-16-14-22(23,24)21(29)25(16)13-6-8-17-10-12-19(30-17)20(27)28/h9-12,15-16,18,26H,3,6-8,13-14H2,1-2H3,(H,27,28)/b11-9+/t15-,16-,18+/m0/s1
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US Patent
1.20n/a 3.30n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190271
PNG
(US9180116, 10C)
Show SMILES O[C@@H](CCCCc1ccccc1)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C24H33F2NO4/c25-24(26)18-20(27(23(24)31)17-9-2-1-6-14-22(29)30)15-16-21(28)13-8-7-12-19-10-4-3-5-11-19/h3-5,10-11,15-16,20-21,28H,1-2,6-9,12-14,17-18H2,(H,29,30)/b16-15+/t20-,21-/m0/s1
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US Patent
1.80n/a 4.90n/an/an/an/a6.0n/a



Cayman Chemical Company, Inc.

US Patent


Assay Description
Assay Volume and Format:200 μl in 96-well plateCell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3...


US Patent US9180116 (2015)


BindingDB Entry DOI: 10.7270/Q2QC029S
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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2.20n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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258n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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329n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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350n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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880n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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1.46E+3n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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4.97E+3n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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1.22E+4n/an/an/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting metho...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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n/an/a 2.59E+4n/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current amplitude by automated patch-clamp method


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current amplitude by automated patch-clamp method


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50101858
PNG
(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
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n/an/an/an/a 610n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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n/an/an/an/a 0.348n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50101858
PNG
(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
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n/an/an/an/a 0.142n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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n/an/an/an/a 0.0880n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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n/an/an/an/a 0.0650n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50101858
PNG
(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
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n/an/an/an/a 0.0100n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50521600
PNG
(CHEMBL4558749)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C21H33NO4/c1-3-4-7-10-17(2)19(23)14-12-18-13-15-20(24)22(18)16-9-6-5-8-11-21(25)26/h12,14,17-19,23H,3,5-6,8-11,13,15-16H2,1-2H3,(H,25,26)/b14-12+/t17-,18-,19+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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n/an/an/an/a 2.27E+3n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50101858
PNG
(4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)
Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1
Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 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 0.0200n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP4 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 0.583n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP2 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 331n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50142481
PNG
(7-[(R)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrr...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM190270
PNG
(US9180116, 9C)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H31F2NO4/c1-2-3-6-9-16(23)12-11-15-14-19(20,21)18(26)22(15)13-8-5-4-7-10-17(24)25/h11-12,15-16,23H,2-10,13-14H2,1H3,(H,24,25)/b12-11+/t15-,16-/m0/s1
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n/an/an/an/a 0.0210n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM190268
PNG
(US9180116, 2C)
Show SMILES CCC#CC[C@H](C)[C@H](O)\C=C\[C@H]1CC(F)(F)C(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H31F2NO4/c1-3-4-7-10-16(2)18(25)13-12-17-15-21(22,23)20(28)24(17)14-9-6-5-8-11-19(26)27/h12-13,16-18,25H,3,5-6,8-11,14-15H2,1-2H3,(H,26,27)/b13-12+/t16-,17-,18+/m0/s1
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n/an/an/an/a 7.36E+3n/an/an/an/a



Cayman Chemical Company, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 ...


J Med Chem 62: 4731-4741 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00336
BindingDB Entry DOI: 10.7270/Q22R3W32
More data for this
Ligand-Target Pair
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