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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 = 'BDBM50353082'   
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))
BDBM50353082
PNG
(CHEMBL1822936)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12
Show InChI InChI=1S/C18H23FN2O4/c1-3-4-10-25-16-14(24-2)7-6-12-11-13(18(23)21-15(12)16)17(22)20-9-5-8-19/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,22)(H,21,23)
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Article
PubMed
58n/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))
BDBM50353082
PNG
(CHEMBL1822936)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12
Show InChI InChI=1S/C18H23FN2O4/c1-3-4-10-25-16-14(24-2)7-6-12-11-13(18(23)21-15(12)16)17(22)20-9-5-8-19/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,22)(H,21,23)
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Article
PubMed
58n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50353082
PNG
(CHEMBL1822936)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12
Show InChI InChI=1S/C18H23FN2O4/c1-3-4-10-25-16-14(24-2)7-6-12-11-13(18(23)21-15(12)16)17(22)20-9-5-8-19/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,22)(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/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