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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 = 'BDBM50277340'   
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))
BDBM50277340
PNG
(1-methyl-N-(4-methyl-3-(morpholinosulfonyl)phenyl)...)
Show SMILES Cc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H28N2O4S/c1-15-6-7-16(20-18(22)19(2)8-4-3-5-9-19)14-17(15)26(23,24)21-10-12-25-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,22)
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PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277340
PNG
(1-methyl-N-(4-methyl-3-(morpholinosulfonyl)phenyl)...)
Show SMILES Cc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H28N2O4S/c1-15-6-7-16(20-18(22)19(2)8-4-3-5-9-19)14-17(15)26(23,24)21-10-12-25-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 33n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair