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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor' and Ligand = 'BDBM50315529'   
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


(Homo sapiens (Human))
BDBM50315529
PNG
(CHEMBL1089454 | N-(3-chlorophenylsulfonyl)-3-(3-me...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN2O4S/c1-19-26-11-4-8-22(14-15-27(33)31-37(35,36)25-10-5-9-24(30)17-25)28(26)32(29(19)34)18-20-12-13-21-6-2-3-7-23(21)16-20/h2-17,19H,18H2,1H3,(H,31,33)/b15-14+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315529
PNG
(CHEMBL1089454 | N-(3-chlorophenylsulfonyl)-3-(3-me...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN2O4S/c1-19-26-11-4-8-22(14-15-27(33)31-37(35,36)25-10-5-9-24(30)17-25)28(26)32(29(19)34)18-20-12-13-21-6-2-3-7-23(21)16-20/h2-17,19H,18H2,1H3,(H,31,33)/b15-14+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair