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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 = 'BDBM50334579'   
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))
BDBM50334579
PNG
(CHEMBL1641961 | tert-Butyl 4-Oxo-1-pentyl-6-phenyl...)
Show SMILES CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C21H28N2O3/c1-5-6-10-13-23-15-17(22-20(25)26-21(2,3)4)19(24)14-18(23)16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
209n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334579
PNG
(CHEMBL1641961 | tert-Butyl 4-Oxo-1-pentyl-6-phenyl...)
Show SMILES CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C21H28N2O3/c1-5-6-10-13-23-15-17(22-20(25)26-21(2,3)4)19(24)14-18(23)16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 164n/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair