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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 = 'BDBM50373939'   
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))
BDBM50373939
PNG
(CHEMBL258332)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24ClNO4/c24-19-3-1-2-17(14-19)15-21(26)10-8-20-9-11-22(27)25(20)13-12-16-4-6-18(7-5-16)23(28)29/h1-8,10,14,20-21,26H,9,11-13,15H2,(H,28,29)/b10-8+/t20-,21+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.0200n/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))
BDBM50373939
PNG
(CHEMBL258332)
Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24ClNO4/c24-19-3-1-2-17(14-19)15-21(26)10-8-20-9-11-22(27)25(20)13-12-16-4-6-18(7-5-16)23(28)29/h1-8,10,14,20-21,26H,9,11-13,15H2,(H,28,29)/b10-8+/t20-,21+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0300n/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