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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 = 'BDBM50243860'   
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))
BDBM50243860
PNG
((R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCCN2)C(=O)N(CC)CC)cc1 |r|
Show InChI InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/m1/s1
PDB

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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