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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP3 subtype' and Ligand = 'BDBM50138052'   
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))
BDBM50138052
PNG
(CHEMBL3751951)
Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r|
Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.700n/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
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50138052
PNG
(CHEMBL3751951)
Show SMILES O[C@H](\C=C\[C@H]1COC(=O)N1CCSc1nc(cs1)C(O)=O)C1(CCCCF)CCC1 |r|
Show InChI InChI=1S/C20H27FN2O5S2/c21-9-2-1-6-20(7-3-8-20)16(24)5-4-14-12-28-19(27)23(14)10-11-29-18-22-15(13-30-18)17(25)26/h4-5,13-14,16,24H,1-3,6-12H2,(H,25,26)/b5-4+/t14-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP3 receptor


Bioorg Med Chem Lett 26: 1016-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.039
BindingDB Entry DOI: 10.7270/Q2JS9S81
More data for this
Ligand-Target Pair