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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50195516'   
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


(MOUSE)
BDBM50195516
PNG
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O |(20.1,4.38,;18.76,3.62,;18.75,2.08,;17.42,1.32,;16.08,2.1,;16.09,3.63,;17.43,4.39,;14.75,1.33,;13.42,2.1,;13.42,3.64,;12.08,1.34,;12.08,-.22,;10.73,-.99,;10.72,-2.53,;12.06,-3.3,;12.04,-4.84,;13.37,-5.61,;14.71,-4.85,;16.04,-5.62,;14.71,-3.3,;13.38,-2.53,;9.39,-.21,;8.06,-.98,;6.73,-.21,;5.39,-.98,;6.73,1.34,;8.06,2.11,;9.39,1.34,;10.73,2.12,;10.73,3.66,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30)
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair