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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM50140258'   
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))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
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Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor


Bioorg Med Chem Lett 26: 105-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.023
BindingDB Entry DOI: 10.7270/Q2G73HRK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
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n/an/a 3.60n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 105-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.023
BindingDB Entry DOI: 10.7270/Q2G73HRK
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
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n/an/a 3.60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assa...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
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n/an/a 243n/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 release pretreated for 30 mi...


Bioorg Med Chem Lett 26: 931-5 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.057
BindingDB Entry DOI: 10.7270/Q22F7Q93
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50140258
PNG
(CHEMBL3740325)
Show SMILES Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20ClNO3/c1-15-10-11-21(26(30)31)16(2)24(15)28-25(29)23-14-19(17-7-5-8-20(27)13-17)12-18-6-3-4-9-22(18)23/h3-14H,1-2H3,(H,28,29)(H,30,31)
PDB

Reactome pathway
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 243n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at EP4 receptor in human whole blood assessed as reversal of inhibition of PGE2 mediated LPS-induced TNF alpha production pretrea...


Bioorg Med Chem Lett 26: 105-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.023
BindingDB Entry DOI: 10.7270/Q2G73HRK
More data for this
Ligand-Target Pair