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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 = 'BDBM50005908'   
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))
BDBM50005908
PNG
(CHEMBL3234707 | US9062004, 14 | US9670216, 14 4-Br...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br
Show InChI InChI=1S/C18H31BrN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
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Article
PubMed
42n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005908
PNG
(CHEMBL3234707 | US9062004, 14 | US9670216, 14 4-Br...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br
Show InChI InChI=1S/C18H31BrN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
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US Patent
n/an/a 42n/an/an/an/an/a25



ALLERGAN, INC.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor conce...


US Patent US9670216 (2017)


BindingDB Entry DOI: 10.7270/Q2V98674
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50005908
PNG
(CHEMBL3234707 | US9062004, 14 | US9670216, 14 4-Br...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br
Show InChI InChI=1S/C18H31BrN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
n/an/a 42n/an/an/an/an/an/a



Allergan, Inc.

US Patent


Assay Description
Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor co...


US Patent US9062004 (2015)


BindingDB Entry DOI: 10.7270/Q2BZ64SM
More data for this
Ligand-Target Pair