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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 = 'BDBM50277154'   
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))
BDBM50277154
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinosulfonyl)phe...)
Show SMILES Cc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H30N2O4S/c1-15-7-8-16(21-19(23)17-6-4-5-9-20(17,2)3)14-18(15)27(24,25)22-10-12-26-13-11-22/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,21,23)
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11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277154
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinosulfonyl)phe...)
Show SMILES Cc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H30N2O4S/c1-15-7-8-16(21-19(23)17-6-4-5-9-20(17,2)3)14-18(15)27(24,25)22-10-12-26-13-11-22/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,21,23)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277154
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinosulfonyl)phe...)
Show SMILES Cc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H30N2O4S/c1-15-7-8-16(21-19(23)17-6-4-5-9-20(17,2)3)14-18(15)27(24,25)22-10-12-26-13-11-22/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,21,23)
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n/an/an/an/a 8.40E+3n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair