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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 = 'BDBM50304921'   
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))
BDBM50304921
PNG
(2,2-dimethyl-N-(4-(morpholinosulfonyl)-5,6,7,8-tet...)
Show SMILES CCC(C)(C)C(=O)Nc1cc2CCCCc2c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H30N2O4S/c1-4-20(2,3)19(23)21-16-13-15-7-5-6-8-17(15)18(14-16)27(24,25)22-9-11-26-12-10-22/h13-14H,4-12H2,1-3H3,(H,21,23)
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PC cid
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50304921
PNG
(2,2-dimethyl-N-(4-(morpholinosulfonyl)-5,6,7,8-tet...)
Show SMILES CCC(C)(C)C(=O)Nc1cc2CCCCc2c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H30N2O4S/c1-4-20(2,3)19(23)21-16-13-15-7-5-6-8-17(15)18(14-16)27(24,25)22-9-11-26-12-10-22/h13-14H,4-12H2,1-3H3,(H,21,23)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CB2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair