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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50416469'   
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 1


(Homo sapiens (Human))
BDBM50416469
PNG
(CHEMBL1209645)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1 |r|
Show InChI InChI=1S/C24H33N3O2/c1-16-12-26(13-17(2)25(16)3)24(28)20-14-27-21(18-8-5-4-6-9-18)15-29-22-11-7-10-19(20)23(22)27/h7,10-11,14,16-18,21H,4-6,8-9,12-13,15H2,1-3H3/t16-,17+,21-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 6.31n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 4918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.067
BindingDB Entry DOI: 10.7270/Q21R6RS6
More data for this
Ligand-Target Pair