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BDBM50372074 CHEMBL401795

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C2CCCc3ccccc23)cc1

InChI Key: InChIKey=DCZJGEJARRDOEK-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372074   
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))
BDBM50372074
PNG
(CHEMBL401795)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C2CCCc3ccccc23)cc1 |w:31.33|
Show InChI InChI=1S/C34H34N2O6S/c1-3-41-31-26-13-7-8-14-27(26)32(42-4-2)30-29(31)20-36(34(30)38)24-18-16-22(17-19-24)21-43(39,40)35-33(37)28-15-9-11-23-10-5-6-12-25(23)28/h5-8,10,12-14,16-19,28H,3-4,9,11,15,20-21H2,1-2H3,(H,35,37)
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PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50372074
PNG
(CHEMBL401795)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C2CCCc3ccccc23)cc1 |w:31.33|
Show InChI InChI=1S/C34H34N2O6S/c1-3-41-31-26-13-7-8-14-27(26)32(42-4-2)30-29(31)20-36(34(30)38)24-18-16-22(17-19-24)21-43(39,40)35-33(37)28-15-9-11-23-10-5-6-12-25(23)28/h5-8,10,12-14,16-19,28H,3-4,9,11,15,20-21H2,1-2H3,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
940n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human EP4 receptor expressed in HEK293 cells in presence of 10% human serum


Bioorg Med Chem Lett 18: 2048-54 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.103
BindingDB Entry DOI: 10.7270/Q2J96770
More data for this
Ligand-Target Pair