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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50438779'   
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


(Homo sapiens (Human))
BDBM50438779
PNG
(CHEMBL2413161)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCc1ccccc1
Show InChI InChI=1S/C25H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.88E+3n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair