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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 = 'BDBM50304922'   
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))
BDBM50304922
PNG
(CHEMBL592264 | N-(3-(N-cyclopentylsulfamoyl)-4,5-d...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-11-13(2)14(3)17(12-16)25(23,24)21-15-9-7-8-10-15/h11-12,15,21H,6-10H2,1-5H3,(H,20,22)
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PC cid
PC sid
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Similars

Article
PubMed
94n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50304922
PNG
(CHEMBL592264 | N-(3-(N-cyclopentylsulfamoyl)-4,5-d...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C19H30N2O3S/c1-6-19(4,5)18(22)20-16-11-13(2)14(3)17(12-16)25(23,24)21-15-9-7-8-10-15/h11-12,15,21H,6-10H2,1-5H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 98n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at rat brain CB2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair