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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50336003'   
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 EP4 subtype


(Homo sapiens (Human))
BDBM50336003
PNG
(CHEMBL1669023 | N-(4-(4,9-diethoxy-1-oxo-1H-benzo[...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CCNC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H36N2O5/c1-5-40-32-25-12-8-9-13-26(25)33(41-6-2)31-27(32)21-36(34(31)38)28-16-15-23(19-22(28)3)17-18-35-30(37)20-24-11-7-10-14-29(24)39-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H,35,37)
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PC cid
PC sid
UniChem
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50336003
PNG
(CHEMBL1669023 | N-(4-(4,9-diethoxy-1-oxo-1H-benzo[...)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CCNC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H36N2O5/c1-5-40-32-25-12-8-9-13-26(25)33(41-6-2)31-27(32)21-36(34(31)38)28-16-15-23(19-22(28)3)17-18-35-30(37)20-24-11-7-10-14-29(24)39-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay in pr...


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair