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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 = 'BDBM50254730'   
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))
BDBM50254730
PNG
(2-(3-(naphthalen-2-ylthio)-1H-indol-4-yloxy)-N-(ph...)
Show SMILES O=C(COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H20N2O4S2/c29-25(28-34(30,31)21-9-2-1-3-10-21)17-32-23-12-6-11-22-26(23)24(16-27-22)33-20-14-13-18-7-4-5-8-19(18)15-20/h1-16,27H,17H2,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



deCODE Chemistry, Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50254730
PNG
(2-(3-(naphthalen-2-ylthio)-1H-indol-4-yloxy)-N-(ph...)
Show SMILES O=C(COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H20N2O4S2/c29-25(28-34(30,31)21-9-2-1-3-10-21)17-32-23-12-6-11-22-26(23)24(16-27-22)33-20-14-13-18-7-4-5-8-19(18)15-20/h1-16,27H,17H2,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.1n/an/an/an/an/an/a



deCODE Chemistry, Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair