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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50255779'   
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))
BDBM50255779
PNG
(3-(1-(2,4-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4...)
Show SMILES CC12CC(=O)N(Cc3ccc(Cl)cc3Cl)C1=C(CCC2)\C=C\C(=O)NS(=O)(=O)c1cc(Cl)c(Cl)s1 |c:17|
Show InChI InChI=1S/C23H20Cl4N2O4S2/c1-23-8-2-3-13(5-7-18(30)28-35(32,33)20-10-17(26)22(27)34-20)21(23)29(19(31)11-23)12-14-4-6-15(24)9-16(14)25/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,28,30)/b7-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/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