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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 = 'BDBM50224059'   
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))
BDBM50224059
PNG
(CHEMBL235040 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccnc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22|
Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-10-29-14-20(21(30)19-8-7-9-27-22(19)29)23(31)28-26-13-18-11-24(2,16-26)15-25(3,12-18)17-26/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,28,31)
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Similars

Article
PubMed
23.5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair