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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 = 'BDBM50454066'   
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))		BDBM50454066
PNG
(CHEMBL4214346)
Show SMILES CC(O)(C\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)CC1CCCCC1 |r|
Show InChI InChI=1S/C21H30N2O5S2/c1-21(27,12-15-6-3-2-4-7-15)9-5-8-16-13-28-20(26)23(16)10-11-29-19-22-17(14-30-19)18(24)25/h5,8,14-16,27H,2-4,6-7,9-13H2,1H3,(H,24,25)/b8-5+/t16-,21?/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.80n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time...

Bioorg Med Chem 26: 200-214 (2018)


Article DOI: 10.1016/j.bmc.2017.11.035
BindingDB Entry DOI: 10.7270/Q2FF3VZ5
More data for this
Ligand-Target Pair