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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 = 'BDBM50048064'   
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))
BDBM50048064
PNG
(CHEMBL3314942)
Show SMILES CC#CC#CC\C=C/CCC\C=C\C=C\C(=O)NCC(C)C
Show InChI InChI=1S/C20H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19(2)3/h9-10,14-17,19H,8,11-13,18H2,1-3H3,(H,21,22)/b10-9-,15-14+,17-16+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/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