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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50243910'   
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))
BDBM50243910
PNG
(2-(4-ethoxybenzoyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCOc1ccc(cc1)C(=O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1S/C26H33N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3
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PC cid
PC sid
UniChem
Article
PubMed
35n/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))
BDBM50243910
PNG
(2-(4-ethoxybenzoyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCOc1ccc(cc1)C(=O)c1nc2cc(ccc2n1CCC(C)C)C(=O)N(CC)CC
Show InChI InChI=1S/C26H33N3O3/c1-6-28(7-2)26(31)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)32-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/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