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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50308132'   
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 EP4 subtype


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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PC cid
PC sid
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Article
PubMed
0.630n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50308132
PNG
(2,5-Dimethyl-N-{1-[4-(2H-tetrazol-5-yl)phenyl]cycl...)
Show SMILES Cc1sc(C)c(C(=O)NC2(CC2)c2ccc(cc2)-c2nnn[nH]2)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N5OS/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)35-14)23(34)29-24(11-12-24)18-9-5-17(6-10-18)22-30-32-33-31-22/h3-10H,11-13H2,1-2H3,(H,29,34)(H,30,31,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximi...


J Med Chem 53: 2227-38 (2010)


Article DOI: 10.1021/jm901771h
BindingDB Entry DOI: 10.7270/Q29W0FMT
More data for this
Ligand-Target Pair