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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 = 'BDBM50255778'   
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))
BDBM50255778
PNG
(3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4...)
Show SMILES CC12CC(=O)N(Cc3cccc(Cl)c3Cl)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1 |c:17|
Show InChI InChI=1S/C23H20Cl4N2O4S2/c1-23-9-3-5-13(7-8-17(30)28-35(32,33)19-10-16(25)22(27)34-19)21(23)29(18(31)11-23)12-14-4-2-6-15(24)20(14)26/h2,4,6-8,10H,3,5,9,11-12H2,1H3,(H,28,30)/b8-7+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor expressed in CHO-K1 cells assessed as reversal of inhibition of forskolin-induced cAMP production


Bioorg Med Chem Lett 19: 778-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.027
BindingDB Entry DOI: 10.7270/Q24M94DH
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50255778
PNG
(3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4...)
Show SMILES CC12CC(=O)N(Cc3cccc(Cl)c3Cl)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1 |c:17|
Show InChI InChI=1S/C23H20Cl4N2O4S2/c1-23-9-3-5-13(7-8-17(30)28-35(32,33)19-10-16(25)22(27)34-19)21(23)29(18(31)11-23)12-14-4-2-6-15(24)20(14)26/h2,4,6-8,10H,3,5,9,11-12H2,1H3,(H,28,30)/b8-7+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/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: 778-82 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.027
BindingDB Entry DOI: 10.7270/Q24M94DH
More data for this
Ligand-Target Pair