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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 = 'BDBM50073069'   
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))
BDBM50073069
PNG
(CHEMBL3410814)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)N3CCCc4ccccc4C3)c(=O)[nH]c12
Show InChI InChI=1S/C26H30N2O4/c1-3-4-7-15-32-24-22(31-2)13-12-19-16-21(25(29)27-23(19)24)26(30)28-14-8-11-18-9-5-6-10-20(18)17-28/h5-6,9-10,12-13,16H,3-4,7-8,11,14-15,17H2,1-2H3,(H,27,29)
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PC cid
PC sid
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Similars

Article
PubMed
118n/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))
BDBM50073069
PNG
(CHEMBL3410814)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)N3CCCc4ccccc4C3)c(=O)[nH]c12
Show InChI InChI=1S/C26H30N2O4/c1-3-4-7-15-32-24-22(31-2)13-12-19-16-21(25(29)27-23(19)24)26(30)28-14-8-11-18-9-5-6-10-20(18)17-28/h5-6,9-10,12-13,16H,3-4,7-8,11,14-15,17H2,1-2H3,(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
118n/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