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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 = 'BDBM50494103'   
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))
BDBM50494103
PNG
(CHEMBL2441464)
Show SMILES CS(=O)(=O)NCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H27N3O3S/c1-29(27,28)23-12-7-15-25-20-9-4-3-8-18(20)19-16-17(10-11-21(19)25)22(26)24-13-5-2-6-14-24/h3-4,8-11,16,23H,2,5-7,12-15H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
62n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50494103
PNG
(CHEMBL2441464)
Show SMILES CS(=O)(=O)NCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H27N3O3S/c1-29(27,28)23-12-7-15-25-20-9-4-3-8-18(20)19-16-17(10-11-21(19)25)22(26)24-13-5-2-6-14-24/h3-4,8-11,16,23H,2,5-7,12-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.30n/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 69: 881-907 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.038
BindingDB Entry DOI: 10.7270/Q20P12Z8
More data for this
Ligand-Target Pair