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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 = 'BDBM50259270'   
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))
BDBM50259270
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-...)
Show SMILES CCN(CC)C(=O)c1nc(NC(C)C)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccccc1Cl
Show InChI InChI=1S/C27H27Cl2N5O/c1-5-34(6-2)27(35)26-32-24(30-16(3)4)21-15-20(17-11-13-18(28)14-12-17)23(31-25(21)33-26)19-9-7-8-10-22(19)29/h7-16H,5-6H2,1-4H3,(H,30,31,32,33)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cannabinoid CB2R expressed in CHO cells


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair