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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 = 'BDBM50454067'   
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))		BDBM50454067
PNG
(CHEMBL4211120)
Show SMILES CC(C)(C)CC[C@](C)(O)C\C=C\[C@H]1CCC(=O)[C@@H]1CCSc1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C22H33NO4S2/c1-21(2,3)11-12-22(4,27)10-5-6-15-7-8-18(24)16(15)9-13-28-20-23-17(14-29-20)19(25)26/h5-6,14-16,27H,7-13H2,1-4H3,(H,25,26)/b6-5+/t15-,16+,22+/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40n/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