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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 = 'BDBM50073057'   
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))
BDBM50073057
PNG
(CHEMBL3410829)
Show SMILES CCCCCOc1cc(ccc1OC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C21H27NO4/c1-3-4-5-14-26-20-15-17(8-11-19(20)25-2)21(24)22-13-12-16-6-9-18(23)10-7-16/h6-11,15,23H,3-5,12-14H2,1-2H3,(H,22,24)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/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))
BDBM50073057
PNG
(CHEMBL3410829)
Show SMILES CCCCCOc1cc(ccc1OC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C21H27NO4/c1-3-4-5-14-26-20-15-17(8-11-19(20)25-2)21(24)22-13-12-16-6-9-18(23)10-7-16/h6-11,15,23H,3-5,12-14H2,1-2H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/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