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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP2 subtype' and Ligand = 'BDBM50092616'   
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


(Mus musculus (Mouse))
BDBM50092616
PNG
(CHEMBL3586360)
Show SMILES Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
Show InChI InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50092616
PNG
(CHEMBL3586360)
Show SMILES Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
Show InChI InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Mus musculus (Mouse))
BDBM50092616
PNG
(CHEMBL3586360)
Show SMILES Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
Show InChI InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from mouse EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Rattus norvegicus)
BDBM50092616
PNG
(CHEMBL3586360)
Show SMILES Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
Show InChI InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from rat EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Rattus norvegicus)
BDBM50092616
PNG
(CHEMBL3586360)
Show SMILES Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
Show InChI InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
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n/an/a 30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50092616
PNG
(CHEMBL3586360)
Show SMILES Fc1ccc2n(ccc2c1)-c1cc(Cl)c2OCCN(Cc3cc[nH]c(=O)c3)Cc2c1
Show InChI InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
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PubMed
n/an/a 50n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair