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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 = 'BDBM50222786'   
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))
BDBM50222786
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-2-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCCO1 |w:26.29|
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-21-8-7-18(24(28)25-11-9-17(2)10-12-25)14-19(21)20-15-26(16-22(20)27)23-6-4-5-13-31-23/h7-8,14,17,23H,3-6,9-13,15-16H2,1-2H3
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PC cid
PC sid
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Similars

Article
PubMed
17.6n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222786
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-2-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCCO1 |w:26.29|
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-21-8-7-18(24(28)25-11-9-17(2)10-12-25)14-19(21)20-15-26(16-22(20)27)23-6-4-5-13-31-23/h7-8,14,17,23H,3-6,9-13,15-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair