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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50244215'   
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 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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Article
PubMed
36n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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38n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
PDB

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CHEMBL
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Article
PubMed
n/an/an/an/a 38n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


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