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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 = 'BDBM50307417'   
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))
BDBM50307417
PNG
(3-[2-({[1-(3-Fluorophenyl)-3-methylbutyl]amino}car...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C28H30FNO4/c1-19(2)15-26(22-7-6-8-23(29)17-22)30-28(33)25-16-20(11-12-21(25)13-14-27(31)32)18-34-24-9-4-3-5-10-24/h3-12,16-17,19,26H,13-15,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
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))
BDBM50307417
PNG
(3-[2-({[1-(3-Fluorophenyl)-3-methylbutyl]amino}car...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2ccccc2)ccc1CCC(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C28H30FNO4/c1-19(2)15-26(22-7-6-8-23(29)17-22)30-28(33)25-16-20(11-12-21(25)13-14-27(31)32)18-34-24-9-4-3-5-10-24/h3-12,16-17,19,26H,13-15,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/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