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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50117697'   
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))
BDBM50117697
PNG
(CHEMBL431612 | Thiophene-2-sulfonic acid [3-(2'-ph...)
Show SMILES O=C(CCc1ccccc1-c1ccccc1CSCCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-27(29-35(31,32)28-15-8-19-34-28)17-16-23-11-4-6-13-25(23)26-14-7-5-12-24(26)21-33-20-18-22-9-2-1-3-10-22/h1-15,19H,16-18,20-21H2,(H,29,30)
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Similars

PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair