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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50360629'   
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))
BDBM50360629
PNG
(CHEMBL1933725)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H22N2O4S2/c23-16(12-14-4-2-1-3-5-14)8-6-15-7-9-18(24)22(15)10-11-27-20-21-17(13-28-20)19(25)26/h1-6,8,13,15-16,23H,7,9-12H2,(H,25,26)/b8-6+/t15-,16+/m0/s1
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UniChem

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Article
PubMed
770n/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 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
Prostaglandin E2 receptor EP3 subtype


(Mus musculus (Mouse))
BDBM50360629
PNG
(CHEMBL1933725)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H22N2O4S2/c23-16(12-14-4-2-1-3-5-14)8-6-15-7-9-18(24)22(15)10-11-27-20-21-17(13-28-20)19(25)26/h1-6,8,13,15-16,23H,7,9-12H2,(H,25,26)/b8-6+/t15-,16+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
770n/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 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 EP3 subtype


(Homo sapiens (Human))
BDBM50360629
PNG
(CHEMBL1933725)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C20H22N2O4S2/c23-16(12-14-4-2-1-3-5-14)8-6-15-7-9-18(24)22(15)10-11-27-20-21-17(13-28-20)19(25)26/h1-6,8,13,15-16,23H,7,9-12H2,(H,25,26)/b8-6+/t15-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair