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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 = 'BDBM113766'   
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))
BDBM113766
PNG
((E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3...)
Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl
Show InChI InChI=1S/C20H32ClNO/c1-15(2)10-11-18-17(14-20(18,4)5)16(3)8-6-7-9-19(23)22-13-12-21/h7,9,17-18H,1,3,6,8,10-14H2,2,4-5H3,(H,22,23)/b9-7+/t17-,18+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.43E+3 -33.9n/an/an/an/an/a7.430



University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.



Assay Description
In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5...


ACS Chem Biol 9: 1499-507 (2014)


Article DOI: 10.1021/cb500177c
BindingDB Entry DOI: 10.7270/Q2T15295
More data for this
Ligand-Target Pair