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BDBM50372066 CHEMBL272571

SMILES: CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccncc2)cc1C

InChI Key: InChIKey=XPJMXMBUYJHTQA-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 = 50372066   
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))
BDBM50372066
PNG
(CHEMBL272571)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccncc2)cc1C
Show InChI InChI=1S/C30H30N4O6S/c1-4-39-28-22-7-6-12-32-27(22)29(40-5-2)23-17-34(30(36)26(23)28)24-9-8-21(15-19(24)3)18-41(37,38)33-25(35)16-20-10-13-31-14-11-20/h6-15H,4-5,16-18H2,1-3H3,(H,33,35)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.80n/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))
BDBM50372066
PNG
(CHEMBL272571)
Show SMILES CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccncc2)cc1C
Show InChI InChI=1S/C30H30N4O6S/c1-4-39-28-22-7-6-12-32-27(22)29(40-5-2)23-17-34(30(36)26(23)28)24-9-8-21(15-19(24)3)18-41(37,38)33-25(35)16-20-10-13-31-14-11-20/h6-15H,4-5,16-18H2,1-3H3,(H,33,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
160n/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