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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 = 'BDBM50253756'   
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))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.16E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.28E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
BindingDB Entry DOI: 10.7270/Q2TB16SP
More data for this
Ligand-Target Pair