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BDBM50213980 4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoate::4-(2-((R)-2-((S,E)-3-hydroxyhept-1-enyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid::CHEMBL251294

SMILES: CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=ATUOXIPDZVUQQS-HNDWKTGHSA-N

Data: 6 KI  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50213980   
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 EP4 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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1n/an/an/an/an/an/an/an/a



EMD-Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE4 from human EP4 receptor


Bioorg Med Chem Lett 18: 821-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.020
BindingDB Entry DOI: 10.7270/Q2W096SW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



EMD Serono Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4323-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.025
BindingDB Entry DOI: 10.7270/Q2RF5VVC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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126n/an/an/an/an/an/an/an/a



EMD Serono Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4323-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.025
BindingDB Entry DOI: 10.7270/Q2RF5VVC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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425n/an/an/an/an/an/an/an/a



EMD-Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP2 receptor


Bioorg Med Chem Lett 18: 821-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.020
BindingDB Entry DOI: 10.7270/Q2W096SW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



EMD Serono Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4323-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.025
BindingDB Entry DOI: 10.7270/Q2RF5VVC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



EMD Serono Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4323-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.025
BindingDB Entry DOI: 10.7270/Q2RF5VVC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



EMD-Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP4 receptor by cAMP assay


Bioorg Med Chem Lett 18: 821-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.020
BindingDB Entry DOI: 10.7270/Q2W096SW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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n/an/an/an/a 0.00200n/an/an/an/a



EMD Serono Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at EP4 receptor expressed in HEK293 cells assessed as cAMP accumulation


Bioorg Med Chem Lett 17: 4323-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.025
BindingDB Entry DOI: 10.7270/Q2RF5VVC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



EMD-Serono Research Institute, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor by cAMP assay


Bioorg Med Chem Lett 18: 821-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.020
BindingDB Entry DOI: 10.7270/Q2W096SW
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50213980
PNG
(4-(2-((R)-2-((S)-3-hydroxyhept-1-enyl)-5-oxopyrrol...)
Show SMILES CCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H27NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h5-9,11,17-18,22H,2-4,10,12-14H2,1H3,(H,24,25)/b11-9+/t17-,18-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



EMD Serono Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at EP2 receptor expressed in HEK293 cells assessed as cAMP accumulation


Bioorg Med Chem Lett 17: 4323-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.025
BindingDB Entry DOI: 10.7270/Q2RF5VVC
More data for this
Ligand-Target Pair