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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 = 'BDBM50244354'   
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))
BDBM50244354
PNG
(2-(4-ethoxy-benzyl)-1-(1-oxy-pyridin-4-ylmethyl)-1...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2cc[n+]([O-])cc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O3/c1-4-29(5-2)27(32)22-9-12-25-24(18-22)28-26(17-20-7-10-23(11-8-20)34-6-3)31(25)19-21-13-15-30(33)16-14-21/h7-16,18H,4-6,17,19H2,1-3H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair