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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 = 'BDBM50156555'   
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))
BDBM50156555
PNG
(2-(4-((R)-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl...)
Show SMILES O[C@@H](Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)N1CCCCOCC(O)=O |r|
Show InChI InChI=1S/C21H26F3NO5/c22-21(23,24)16-5-3-4-15(12-16)13-18(26)8-6-17-7-9-19(27)25(17)10-1-2-11-30-14-20(28)29/h3-6,8,12,17-18,26H,1-2,7,9-11,13-14H2,(H,28,29)/b8-6+/t17-,18+/m0/s1
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PC sid
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Article
PubMed
7n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50156555
PNG
(2-(4-((R)-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl...)
Show SMILES O[C@@H](Cc1cccc(c1)C(F)(F)F)\C=C\[C@H]1CCC(=O)N1CCCCOCC(O)=O |r|
Show InChI InChI=1S/C21H26F3NO5/c22-21(23,24)16-5-3-4-15(12-16)13-18(26)8-6-17-7-9-19(27)25(17)10-1-2-11-30-14-20(28)29/h3-6,8,12,17-18,26H,1-2,7,9-11,13-14H2,(H,28,29)/b8-6+/t17-,18+/m0/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 180n/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Functional activity at human EP4 receptor


J Med Chem 47: 6124-7 (2004)


Article DOI: 10.1021/jm049290a
BindingDB Entry DOI: 10.7270/Q2P84BBQ
More data for this
Ligand-Target Pair