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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 = 'BDBM50092654'   
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))
BDBM50092654
PNG
(CHEMBL3586346)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-n1ccc2cc(F)ccc12
Show InChI InChI=1S/C20H21N5O6S/c1-25(9-10-2-3-12-11(8-10)17(28)24-20(21)23-12)15-6-5-14(32-15)18(29)22-13(19(30)31)4-7-16(26)27/h2-3,5-6,8,13H,4,7,9H2,1H3,(H,22,29)(H,26,27)(H,30,31)(H3,21,23,24,28)/t13-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50092654
PNG
(CHEMBL3586346)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)CCOc12)-n1ccc2cc(F)ccc12
Show InChI InChI=1S/C20H21N5O6S/c1-25(9-10-2-3-12-11(8-10)17(28)24-20(21)23-12)15-6-5-14(32-15)18(29)22-13(19(30)31)4-7-16(26)27/h2-3,5-6,8,13H,4,7,9H2,1H3,(H,22,29)(H,26,27)(H,30,31)(H3,21,23,24,28)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair