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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 = 'BDBM176608'   
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))
BDBM176608
PNG
(US9115121, 63)
Show SMILES CCOC(=O)COc1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OC)n1
Show InChI InChI=1S/C22H22ClFN4O4/c1-3-31-19(29)13-32-18-12-15(6-9-17(18)23)20-26-21(28-22(27-20)30-2)25-11-10-14-4-7-16(24)8-5-14/h4-9,12H,3,10-11,13H2,1-2H3,(H,25,26,27,28)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 28...


US Patent US9115121 (2015)


BindingDB Entry DOI: 10.7270/Q23N225X
More data for this
Ligand-Target Pair