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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50213978'   
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))
BDBM50213978
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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PC cid
PC sid
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Similars

Article
PubMed
4n/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 EP4 subtype


(Homo sapiens (Human))
BDBM50213978
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

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.100n/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