new BindingDB logo
myBDB logout

BDBM50372077 CHEMBL271070

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2c(C)cc(C)cc2C)cc1

InChI Key: InChIKey=ZQVPHYSSOIWBBW-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 = 50372077   
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))
BDBM50372077
PNG
(CHEMBL271070)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2c(C)cc(C)cc2C)cc1
Show InChI InChI=1S/C34H36N2O6S/c1-6-41-32-26-10-8-9-11-27(26)33(42-7-2)31-29(32)19-36(34(31)38)25-14-12-24(13-15-25)20-43(39,40)35-30(37)18-28-22(4)16-21(3)17-23(28)5/h8-17H,6-7,18-20H2,1-5H3,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.430n/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))
BDBM50372077
PNG
(CHEMBL271070)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2c(C)cc(C)cc2C)cc1
Show InChI InChI=1S/C34H36N2O6S/c1-6-41-32-26-10-8-9-11-27(26)33(42-7-2)31-29(32)19-36(34(31)38)25-14-12-24(13-15-25)20-43(39,40)35-30(37)18-28-22(4)16-21(3)17-23(28)5/h8-17H,6-7,18-20H2,1-5H3,(H,35,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
380n/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