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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 = 'BDBM50224064'   
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))
BDBM50224064
PNG
(CHEMBL235732 | N3-(1-(3,5-dimethyl)adamantyl)-6-ch...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |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:19:18:12:15.14.22,19:18:14:12.11.22,16:15:20:12.21.11,16:15:12:20.18.21|
Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-9-30-14-21(23(31)20-10-19(28)7-8-22(20)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-8,10,14,18H,4-6,9,11-13,15-17H2,1-3H3,(H,29,32)
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Similars

Article
PubMed
54.6n/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