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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1/Mu-type opioid receptor' and Ligand = 'BDBM50425521'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50425521
PNG
(CHEMBL2313631)
Show SMILES CCOC(=O)N(C1CCN(CCn2c3ccccc3n(C3CC3)c2=O)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N4O3/c1-2-33-26(32)29(20-8-4-3-5-9-20)22-14-16-27(17-15-22)18-19-28-23-10-6-7-11-24(23)30(25(28)31)21-12-13-21/h3-11,21-22H,2,12-19H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to MOR (unknown origin)


J Med Chem 56: 1197-210 (2013)


Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2
More data for this
Ligand-Target Pair