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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50307427'   
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 EP3 subtype


(Mus musculus (Mouse))
BDBM50307427
PNG
(3-[2-({[1-(3-Fluoro-4-methylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(F)c1
Show InChI InChI=1S/C29H32FNO4/c1-19(2)15-27(23-11-9-20(3)26(30)17-23)31-29(34)25-16-21(10-12-22(25)13-14-28(32)33)18-35-24-7-5-4-6-8-24/h4-12,16-17,19,27H,13-15,18H2,1-3H3,(H,31,34)(H,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50307427
PNG
(3-[2-({[1-(3-Fluoro-4-methylphenyl)-3-methylbutyl]...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1ccc(C)c(F)c1
Show InChI InChI=1S/C29H32FNO4/c1-19(2)15-27(23-11-9-20(3)26(30)17-23)31-29(34)25-16-21(10-12-22(25)13-14-28(32)33)18-35-24-7-5-4-6-8-24/h4-12,16-17,19,27H,13-15,18H2,1-3H3,(H,31,34)(H,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase intracellular calcium level in prese...


Bioorg Med Chem 18: 1641-58 (2010)


Article DOI: 10.1016/j.bmc.2009.12.068
BindingDB Entry DOI: 10.7270/Q29023W2
More data for this
Ligand-Target Pair