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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 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 EP2 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
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.670n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level by EIA


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 EP2 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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.90n/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 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