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BDBM50372057 CHEMBL404653

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=RSDZJFIZACEOJA-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 = 50372057   
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))
BDBM50372057
PNG
(CHEMBL404653)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C37H34N2O6S/c1-3-44-34-29-17-11-12-18-30(29)35(45-4-2)33-31(34)23-39(37(33)41)28-21-19-25(20-22-28)24-46(42,43)38-36(40)32(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-22,32H,3-4,23-24H2,1-2H3,(H,38,40)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.90n/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))
BDBM50372057
PNG
(CHEMBL404653)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C37H34N2O6S/c1-3-44-34-29-17-11-12-18-30(29)35(45-4-2)33-31(34)23-39(37(33)41)28-21-19-25(20-22-28)24-46(42,43)38-36(40)32(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-22,32H,3-4,23-24H2,1-2H3,(H,38,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+3n/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