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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 = 'BDBM50360628'   
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


(Mus musculus (Mouse))
BDBM50360628
PNG
(CHEMBL1933724)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C18H26N2O4S2/c1-2-3-4-5-14(21)8-6-13-7-9-16(22)20(13)10-11-25-18-19-15(12-26-18)17(23)24/h6,8,12-14,21H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t13-,14-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 2235-51 (2012)


Article DOI: 10.1016/j.bmc.2012.02.018
BindingDB Entry DOI: 10.7270/Q2542P2G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Mus musculus (Mouse))
BDBM50360628
PNG
(CHEMBL1933724)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C18H26N2O4S2/c1-2-3-4-5-14(21)8-6-13-7-9-16(22)20(13)10-11-25-18-19-15(12-26-18)17(23)24/h6,8,12-14,21H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t13-,14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 396-401 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.109
BindingDB Entry DOI: 10.7270/Q27P8ZT2
More data for this
Ligand-Target Pair