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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 = 'BDBM50454059'   
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))		BDBM50454059
PNG
(CHEMBL4207054)
Show SMILES C[C@@H]1OC(=O)N(CCSc2nc(cs2)C(O)=O)[C@H]1\C=C\CC(C)(O)CC1CCCCC1 |r|
Show InChI InChI=1S/C22H32N2O5S2/c1-15-18(9-6-10-22(2,28)13-16-7-4-3-5-8-16)24(21(27)29-15)11-12-30-20-23-17(14-31-20)19(25)26/h6,9,14-16,18,28H,3-5,7-8,10-13H2,1-2H3,(H,25,26)/b9-6+/t15-,18-,22?/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 36n/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