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SMILES: CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CC(C)NC(=O)Cc2ccccc2OC)cc1C

InChI Key: InChIKey=HPAXCHSSDJKBCU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336002   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50336002
PNG
(CHEMBL1669019 | N-(1-(4-(5,9-diethoxy-6-oxo-6H-pyr...)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CC(C)NC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.670n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50336002
PNG
(CHEMBL1669019 | N-(1-(4-(5,9-diethoxy-6-oxo-6H-pyr...)
Show SMILES CCOc1c2C(=O)N(Cc2c(OCC)c2ncccc12)c1ccc(CC(C)NC(=O)Cc2ccccc2OC)cc1C
Show InChI InChI=1S/C34H37N3O5/c1-6-41-32-25-12-10-16-35-31(25)33(42-7-2)26-20-37(34(39)30(26)32)27-15-14-23(17-21(27)3)18-22(4)36-29(38)19-24-11-8-9-13-28(24)40-5/h8-17,22H,6-7,18-20H2,1-5H3,(H,36,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay in pr...


Bioorg Med Chem Lett 21: 1041-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.014
BindingDB Entry DOI: 10.7270/Q2VH5P4H
More data for this
Ligand-Target Pair