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BDBM50213975 4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid::CHEMBL251504

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

InChI Key: InChIKey=SJKJSDLRYXXUDS-BJSAIBKMSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50213975   
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 EP2 subtype


(Homo sapiens (Human))
BDBM50213975
PNG
(4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrroli...)
Show SMILES CCCC\C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO3/c1-3-4-6-17(2)7-5-8-20-13-14-21(24)23(20)16-15-18-9-11-19(12-10-18)22(25)26/h5,7-12,20H,3-4,6,13-16H2,1-2H3,(H,25,26)/b8-5+,17-7+/t20-/m0/s1
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Article
PubMed
134n/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 EP4 subtype


(Homo sapiens (Human))
BDBM50213975
PNG
(4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrroli...)
Show SMILES CCCC\C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO3/c1-3-4-6-17(2)7-5-8-20-13-14-21(24)23(20)16-15-18-9-11-19(12-10-18)22(25)26/h5,7-12,20H,3-4,6,13-16H2,1-2H3,(H,25,26)/b8-5+,17-7+/t20-/m0/s1
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Article
PubMed
181n/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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50213975
PNG
(4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrroli...)
Show SMILES CCCC\C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO3/c1-3-4-6-17(2)7-5-8-20-13-14-21(24)23(20)16-15-18-9-11-19(12-10-18)22(25)26/h5,7-12,20H,3-4,6,13-16H2,1-2H3,(H,25,26)/b8-5+,17-7+/t20-/m0/s1
KEGG

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Article
PubMed
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


(Homo sapiens (Human))
BDBM50213975
PNG
(4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrroli...)
Show SMILES CCCC\C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO3/c1-3-4-6-17(2)7-5-8-20-13-14-21(24)23(20)16-15-18-9-11-19(12-10-18)22(25)26/h5,7-12,20H,3-4,6,13-16H2,1-2H3,(H,25,26)/b8-5+,17-7+/t20-/m0/s1
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Article
PubMed
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 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 EP4 subtype


(Homo sapiens (Human))
BDBM50213975
PNG
(4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrroli...)
Show SMILES CCCC\C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO3/c1-3-4-6-17(2)7-5-8-20-13-14-21(24)23(20)16-15-18-9-11-19(12-10-18)22(25)26/h5,7-12,20H,3-4,6,13-16H2,1-2H3,(H,25,26)/b8-5+,17-7+/t20-/m0/s1
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Article
PubMed
n/an/an/an/a 15n/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))
BDBM50213975
PNG
(4-(2-((R)-2-(4-methylocta-1,3-dienyl)-5-oxopyrroli...)
Show SMILES CCCC\C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H29NO3/c1-3-4-6-17(2)7-5-8-20-13-14-21(24)23(20)16-15-18-9-11-19(12-10-18)22(25)26/h5,7-12,20H,3-4,6,13-16H2,1-2H3,(H,25,26)/b8-5+,17-7+/t20-/m0/s1
PDB

Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 222n/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