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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 = 'BDBM50248606'   
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))
BDBM50248606
PNG
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)
Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3
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Article
PubMed
1.07n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
BindingDB Entry DOI: 10.7270/Q2SX6D3N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248606
PNG
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)
Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
1.07 -52.1n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair