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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 = 'BDBM50392565'   
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))
BDBM50392565
PNG
(CHEMBL2152817)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCSc2ccccc2)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C36H40N2O2S2/c1-35(2)25-18-19-36(3,23-25)34(35)37-33(40)30-24-38(20-10-11-21-41-26-12-6-4-7-13-26)31-22-28(16-17-29(31)32(30)39)42-27-14-8-5-9-15-27/h4-9,12-17,22,24-25,34H,10-11,18-21,23H2,1-3H3,(H,37,40)/t25?,34-,36-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair