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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50382740'   
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))
BDBM50382740
PNG
(CHEMBL2023574)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H32N2O4/c29-24(27-21-14-12-19(13-15-21)26(31)32)22-16-20-10-6-1-2-7-11-23(20)28(25(22)30)17-18-8-4-3-5-9-18/h12-16,18H,1-11,17H2,(H,27,29)(H,31,32)
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Article
PubMed
107n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382740
PNG
(CHEMBL2023574)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H32N2O4/c29-24(27-21-14-12-19(13-15-21)26(31)32)22-16-20-10-6-1-2-7-11-23(20)28(25(22)30)17-18-8-4-3-5-9-18/h12-16,18H,1-11,17H2,(H,27,29)(H,31,32)
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Article
PubMed
107n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382740
PNG
(CHEMBL2023574)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H32N2O4/c29-24(27-21-14-12-19(13-15-21)26(31)32)22-16-20-10-6-1-2-7-11-23(20)28(25(22)30)17-18-8-4-3-5-9-18/h12-16,18H,1-11,17H2,(H,27,29)(H,31,32)
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Article
PubMed
107n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382740
PNG
(CHEMBL2023574)
Show SMILES OC(=O)c1ccc(NC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H32N2O4/c29-24(27-21-14-12-19(13-15-21)26(31)32)22-16-20-10-6-1-2-7-11-23(20)28(25(22)30)17-18-8-4-3-5-9-18/h12-16,18H,1-11,17H2,(H,27,29)(H,31,32)
PDB

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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair