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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 = 'BDBM50302301'   
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))
BDBM50302301
PNG
(1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-...)
Show SMILES CCC1(CCC1)C(=O)Nc1cc(CN2CCOCC2)c(C)cn1
Show InChI InChI=1S/C18H27N3O2/c1-3-18(5-4-6-18)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,19,20,22)
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PC cid
PC sid
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Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy


Bioorg Med Chem Lett 19: 5931-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50302301
PNG
(1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-...)
Show SMILES CCC1(CCC1)C(=O)Nc1cc(CN2CCOCC2)c(C)cn1
Show InChI InChI=1S/C18H27N3O2/c1-3-18(5-4-6-18)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,19,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CB2 receptor in rat cerebellar membrane assessed as WIN 55212-2-stimulated [35S]GTPgammaS binding after 6 hrs by scintillation sp...


Bioorg Med Chem Lett 19: 5931-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001
More data for this
Ligand-Target Pair