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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 = 'BDBM50169608'   
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))
BDBM50169608
PNG
(CHEMBL3806076)
Show SMILES [H][C@]12C[C@@H](O)[C@H](COc3cccc(F)c3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H20FNO5S/c20-10-2-1-3-11(6-10)25-8-13-12-4-5-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-3,6,9,12-13,15-17,22H,4-5,7-8H2,(H,23,24)/t12-,13-,15-,16-,17+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at PK2-tagged human EP2 receptor expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin recruitment incubated fo...


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50169608
PNG
(CHEMBL3806076)
Show SMILES [H][C@]12C[C@@H](O)[C@H](COc3cccc(F)c3)[C@@]1([H])CC[C@@H](O2)c1nc(cs1)C(O)=O |r|
Show InChI InChI=1S/C19H20FNO5S/c20-10-2-1-3-11(6-10)25-8-13-12-4-5-16(26-17(12)7-15(13)22)18-21-14(9-27-18)19(23)24/h1-3,6,9,12-13,15-17,22H,4-5,7-8H2,(H,23,24)/t12-,13-,15-,16-,17+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.40n/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method


ACS Med Chem Lett 7: 306-11 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00455
BindingDB Entry DOI: 10.7270/Q2125VKG
More data for this
Ligand-Target Pair