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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 = 'BDBM50301314'   
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))
BDBM50301314
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinomethyl)pheny...)
Show SMILES CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C18H28N2O2/c1-5-18(3,4)17(21)19-16-7-6-14(2)15(12-16)13-20-8-10-22-11-9-20/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,21)
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301314
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinomethyl)pheny...)
Show SMILES CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C18H28N2O2/c1-5-18(3,4)17(21)19-16-7-6-14(2)15(12-16)13-20-8-10-22-11-9-20/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,21)
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PubMed
120n/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


(Homo sapiens (Human))
BDBM50301314
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinomethyl)pheny...)
Show SMILES CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C18H28N2O2/c1-5-18(3,4)17(21)19-16-7-6-14(2)15(12-16)13-20-8-10-22-11-9-20/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,21)
PDB

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PC sid
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Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1
More data for this
Ligand-Target Pair