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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 = 'BDBM50307446'   
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))
BDBM50307446
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluorophen...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H29FN2O4/c1-19(2)14-27(23-8-11-24(30)12-9-23)32-29(35)26-16-21(6-7-22(26)10-13-28(33)34)18-36-25-5-3-4-20(15-25)17-31/h3-9,11-12,15-16,19,27H,10,13-14,18H2,1-2H3,(H,32,35)(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.170n/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))
BDBM50307446
PNG
(3-[4-[(3-Cyanophenoxy)methyl]-2-({[1-(4-fluorophen...)
Show SMILES CC(C)CC(NC(=O)c1cc(COc2cccc(c2)C#N)ccc1CCC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H29FN2O4/c1-19(2)14-27(23-8-11-24(30)12-9-23)32-29(35)26-16-21(6-7-22(26)10-13-28(33)34)18-36-25-5-3-4-20(15-25)17-31/h3-9,11-12,15-16,19,27H,10,13-14,18H2,1-2H3,(H,32,35)(H,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.10n/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