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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 = 'BDBM50364102'   
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))
BDBM50364102
PNG
(CHEMBL1950928)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)C2CCCC2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H35N3O3S/c1-17(28)26-13-11-18(12-14-26)16-27-22-10-9-20(31(29,30)19-7-5-6-8-19)15-21(22)25-23(27)24(2,3)4/h9-10,15,18-19H,5-8,11-14,16H2,1-4H3
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Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor


Bioorg Med Chem Lett 22: 547-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.091
BindingDB Entry DOI: 10.7270/Q2JW8FBF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364102
PNG
(CHEMBL1950928)
Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)C2CCCC2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H35N3O3S/c1-17(28)26-13-11-18(12-14-26)16-27-22-10-9-20(31(29,30)19-7-5-6-8-19)15-21(22)25-23(27)24(2,3)4/h9-10,15,18-19H,5-8,11-14,16H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin cha...


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair