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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 = 'BDBM50016981'   
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))
BDBM50016981
PNG
(CHEMBL1722929)
Show SMILES CCCCCC(O)c1ccc(cc1)[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
Show InChI InChI=1S/C24H36O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-22,25H,2-11,16-17H2,1H3,(H,27,28)/t20-,21-,22?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to EP3 receptor (unknown origin)


J Med Chem 57: 4454-65 (2014)


Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ
More data for this
Ligand-Target Pair