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BDBM50092621 CHEMBL3586357

SMILES: COc1cc(cc2CN(Cc3cccnc3)C(=O)COc12)-c1csc2ccccc12

InChI Key: InChIKey=SRFWGVMPDICHSF-UHFFFAOYSA-N

Data: 2 IC50

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 = 50092621   
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 EP2 subtype


(Homo sapiens (Human))
BDBM50092621
PNG
(CHEMBL3586357)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)C(=O)COc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H20N2O3S/c1-28-21-10-17(20-15-30-22-7-3-2-6-19(20)22)9-18-13-26(23(27)14-29-24(18)21)12-16-5-4-8-25-11-16/h2-11,15H,12-14H2,1H3
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50092621
PNG
(CHEMBL3586357)
Show SMILES COc1cc(cc2CN(Cc3cccnc3)C(=O)COc12)-c1csc2ccccc12
Show InChI InChI=1S/C24H20N2O3S/c1-28-21-10-17(20-15-30-22-7-3-2-6-19(20)22)9-18-13-26(23(27)14-29-24(18)21)12-16-5-4-8-25-11-16/h2-11,15H,12-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay


J Med Chem 58: 5256-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00567
BindingDB Entry DOI: 10.7270/Q2416ZSC
More data for this
Ligand-Target Pair