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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 = 'BDBM50142488'   
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))
BDBM50142488
PNG
(7-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO4/c23-22(24,25)17-7-5-6-16(14-17)15-19(27)11-9-18-10-12-20(28)26(18)13-4-2-1-3-8-21(29)30/h5-7,14,18-19,27H,1-4,8-13,15H2,(H,29,30)/t18-,19+/m0/s1
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Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined against prostanoid EP2 receptor


Bioorg Med Chem Lett 14: 1655-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.063
BindingDB Entry DOI: 10.7270/Q2MK6CBC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Rattus norvegicus)
BDBM50142488
PNG
(7-((S)-2-((R)-3-hydroxy-4-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H](CC[C@H]1CCC(=O)N1CCCCCCC(O)=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H30F3NO4/c23-22(24,25)17-7-5-6-16(14-17)15-19(27)11-9-18-10-12-20(28)26(18)13-4-2-1-3-8-21(29)30/h5-7,14,18-19,27H,1-4,8-13,15H2,(H,29,30)/t18-,19+/m0/s1
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Article
PubMed
n/an/a>3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to rat EP2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 1799-802 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.018
BindingDB Entry DOI: 10.7270/Q2SQ8ZZ5
More data for this
Ligand-Target Pair