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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 = 'BDBM50095852'   
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))
BDBM50095852
PNG
(CHEMBL3590622)
Show SMILES CCCCN1C(=O)\C(=C\NC2CC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H22N2O2/c1-3-4-10-20-16-12(2)6-5-7-14(16)17(21)15(18(20)22)11-19-13-8-9-13/h5-7,11,13,19H,3-4,8-10H2,1-2H3/b15-11+
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 504n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095852
PNG
(CHEMBL3590622)
Show SMILES CCCCN1C(=O)\C(=C\NC2CC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C18H22N2O2/c1-3-4-10-20-16-12(2)6-5-7-14(16)17(21)15(18(20)22)11-19-13-8-9-13/h5-7,11,13,19H,3-4,8-10H2,1-2H3/b15-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 503n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair