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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 = 'BDBM50303667'   
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


(Homo sapiens (Human))
BDBM50303667
PNG
(CHEMBL566221 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES CC1=CC(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2\C=C\C(=O)NS(=O)(=O)c1cccs1 |t:1|
Show InChI InChI=1S/C24H18Cl2FNO3S2/c1-14-9-17(10-15-4-6-18(25)12-21(15)26)24-16(11-19(27)13-20(14)24)5-7-22(29)28-33(30,31)23-3-2-8-32-23/h2-9,11-13,17H,10H2,1H3,(H,28,29)/b7-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50303667
PNG
(CHEMBL566221 | Thiophene-2-sulfonic Acid{(E)-3-[1-...)
Show SMILES CC1=CC(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2\C=C\C(=O)NS(=O)(=O)c1cccs1 |t:1|
Show InChI InChI=1S/C24H18Cl2FNO3S2/c1-14-9-17(10-15-4-6-18(25)12-21(15)26)24-16(11-19(27)13-20(14)24)5-7-22(29)28-33(30,31)23-3-2-8-32-23/h2-9,11-13,17H,10H2,1H3,(H,28,29)/b7-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 299n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serum


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair