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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50125417'   
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))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells


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 EP4 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells


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