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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50107280'   
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))
BDBM50107280
PNG
(CHEMBL3600788)
Show SMILES Cl.OC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CCCCN1CCOc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O4/c27-22(25-24(13-14-24)19-11-9-18(10-12-19)23(28)29)21-8-4-5-15-26(21)16-17-30-20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,25,27)(H,28,29)/t21-/m1/s1
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Article
PubMed
45n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


Bioorg Med Chem Lett 25: 3176-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.091
BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107280
PNG
(CHEMBL3600788)
Show SMILES Cl.OC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CCCCN1CCOc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O4/c27-22(25-24(13-14-24)19-11-9-18(10-12-19)23(28)29)21-8-4-5-15-26(21)16-17-30-20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,25,27)(H,28,29)/t21-/m1/s1
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Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP accumulation by scinti...


Bioorg Med Chem Lett 25: 3176-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.091
BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107280
PNG
(CHEMBL3600788)
Show SMILES Cl.OC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CCCCN1CCOc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O4/c27-22(25-24(13-14-24)19-11-9-18(10-12-19)23(28)29)21-8-4-5-15-26(21)16-17-30-20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,25,27)(H,28,29)/t21-/m1/s1
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Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analy...


Bioorg Med Chem Lett 25: 3176-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.091
BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50107280
PNG
(CHEMBL3600788)
Show SMILES Cl.OC(=O)c1ccc(cc1)C1(CC1)NC(=O)[C@H]1CCCCN1CCOc1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O4/c27-22(25-24(13-14-24)19-11-9-18(10-12-19)23(28)29)21-8-4-5-15-26(21)16-17-30-20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,25,27)(H,28,29)/t21-/m1/s1
PDB

Reactome pathway
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PC sid
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Article
PubMed
n/an/a 586n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha reduction preincubated for 3...


Bioorg Med Chem Lett 25: 3176-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.091
BindingDB Entry DOI: 10.7270/Q2FX7C79
More data for this
Ligand-Target Pair