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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 = 'BDBM50315969'   
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))
BDBM50315969
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H29N3O4S/c35-31(33-39(36,37)29-9-2-1-3-10-29)16-15-27-14-12-25(23-34-19-6-18-32-34)22-30(27)38-20-17-24-11-13-26-7-4-5-8-28(26)21-24/h1-14,18-19,21-22H,15-17,20,23H2,(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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 EP3 receptor expressed in CHO cells after 60 mins by scintillation counter


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50315969
PNG
(3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-...)
Show SMILES O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H29N3O4S/c35-31(33-39(36,37)29-9-2-1-3-10-29)16-15-27-14-12-25(23-34-19-6-18-32-34)22-30(27)38-20-17-24-11-13-26-7-4-5-8-28(26)21-24/h1-14,18-19,21-22H,15-17,20,23H2,(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/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 in intracellular calcium level after...


Bioorg Med Chem Lett 20: 2639-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.034
BindingDB Entry DOI: 10.7270/Q23B6099
More data for this
Ligand-Target Pair