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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 = 'BDBM50304934'   
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))
BDBM50304934
PNG
((R)-N-(3-(2-(hydroxymethyl)pyrrolidin-1-ylsulfonyl...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCC[C@@H]1CO |r|
Show InChI InChI=1S/C19H30N2O4S/c1-6-19(4,5)18(23)20-15-10-13(2)14(3)17(11-15)26(24,25)21-9-7-8-16(21)12-22/h10-11,16,22H,6-9,12H2,1-5H3,(H,20,23)/t16-/m1/s1
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Article
PubMed
43n/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))
BDBM50304934
PNG
((R)-N-(3-(2-(hydroxymethyl)pyrrolidin-1-ylsulfonyl...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(C)c(C)c(c1)S(=O)(=O)N1CCC[C@@H]1CO |r|
Show InChI InChI=1S/C19H30N2O4S/c1-6-19(4,5)18(23)20-15-10-13(2)14(3)17(11-15)26(24,25)21-9-7-8-16(21)12-22/h10-11,16,22H,6-9,12H2,1-5H3,(H,20,23)/t16-/m1/s1
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