BindingDB logo
myBDB logout

BDBM50191055 3-(1,3-dioxoisoindolin-2-yl)-N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide::CHEMBL212589

SMILES: O=C(CCN1C(=O)c2ccccc2C1=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=GWKFNZOFADNDJH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50191055   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50191055
PNG
(3-(1,3-dioxoisoindolin-2-yl)-N-(1-phenethylpiperid...)
Show SMILES O=C(CCN1C(=O)c2ccccc2C1=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H31N3O3/c34-28(18-22-32-29(35)26-13-7-8-14-27(26)30(32)36)33(24-11-5-2-6-12-24)25-16-20-31(21-17-25)19-15-23-9-3-1-4-10-23/h1-14,25H,15-22H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 217n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor


Bioorg Med Chem Lett 16: 4946-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.040
BindingDB Entry DOI: 10.7270/Q24B30Z0
More data for this
Ligand-Target Pair