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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 = 'BDBM50306000'   
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))
BDBM50306000
PNG
(CHEMBL596133 | N-(6-(5-chloro-2-(2-fluorophenylsul...)
Show SMILES CS(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H22ClFN2O6S3/c1-31(25,26)23-19-13-20(19)8-10-24(11-9-20)33(29,30)18-12-14(21)6-7-17(18)32(27,28)16-5-3-2-4-15(16)22/h2-7,12,19,23H,8-11,13H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50306000
PNG
(CHEMBL596133 | N-(6-(5-chloro-2-(2-fluorophenylsul...)
Show SMILES CS(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H22ClFN2O6S3/c1-31(25,26)23-19-13-20(19)8-10-24(11-9-20)33(29,30)18-12-14(21)6-7-17(18)32(27,28)16-5-3-2-4-15(16)22/h2-7,12,19,23H,8-11,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair