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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 = 'BDBM50243861'   
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))
BDBM50243861
PNG
((R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpip...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCCN2C)C(=O)N(CC)CC)cc1 |r|
Show InChI InChI=1S/C28H38N4O2/c1-5-31(6-2)28(33)22-13-16-26-25(19-22)29-27(18-21-11-14-24(15-12-21)34-7-3)32(26)20-23-10-8-9-17-30(23)4/h11-16,19,23H,5-10,17-18,20H2,1-4H3/t23-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
4.32E+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