new BindingDB logo
myBDB logout

BDBM50105117 4-(3-Phenyl-allyl)-piperazine-1-carboxylic acid 2-(4-cyano-phenyl)-ethyl ester::CHEMBL115709

SMILES: O=C(OCCc1ccc(cc1)C#N)N1CCN(C\C=C\c2ccccc2)CC1

InChI Key: InChIKey=YUEVKMKGOCCDJU-QPJJXVBHSA-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 = 50105117   
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


(Homo sapiens (Human))
BDBM50105117
PNG
(4-(3-Phenyl-allyl)-piperazine-1-carboxylic acid 2-...)
Show SMILES O=C(OCCc1ccc(cc1)C#N)N1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O2/c24-19-22-10-8-21(9-11-22)12-18-28-23(27)26-16-14-25(15-17-26)13-4-7-20-5-2-1-3-6-20/h1-11H,12-18H2/b7-4+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 197n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu opiate receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair