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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 = 'BDBM50392563'   
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))
BDBM50392563
PNG
(CHEMBL2152815)
Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H37N3O2S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-33(16-15-32(4)5)25-17-22(11-12-23(25)26(24)34)36-21-9-7-6-8-10-21/h6-12,17,19-20,28H,13-16,18H2,1-5H3,(H,31,35)/t20?,28-,30-/m1/s1
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PC cid
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Article
PubMed
1.30n/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