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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 = 'BDBM50156548'   
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))
BDBM50156548
PNG
(5-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(s1)C(O)=O |r|
Show InChI InChI=1S/C19H27NO4S/c1-2-3-4-5-15(21)8-6-14-7-11-18(22)20(14)13-12-16-9-10-17(25-16)19(23)24/h6,8-10,14-15,21H,2-5,7,11-13H2,1H3,(H,23,24)/b8-6+/t14-,15-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156548
PNG
(5-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrro...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCc1ccc(s1)C(O)=O |r|
Show InChI InChI=1S/C19H27NO4S/c1-2-3-4-5-15(21)8-6-14-7-11-18(22)20(14)13-12-16-9-10-17(25-16)19(23)24/h6,8-10,14-15,21H,2-5,7,11-13H2,1H3,(H,23,24)/b8-6+/t14-,15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Functional activity at human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair