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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 = 'BDBM50418014'   
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))
BDBM50418014
PNG
(CHEMBL1682262)
Show SMILES Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nsc(CN2CCCC2)n1
Show InChI InChI=1S/C21H25ClN4OS/c22-18-5-3-4-16-17(13-26(20(16)18)12-15-6-10-27-11-7-15)21-23-19(28-24-21)14-25-8-1-2-9-25/h3-5,13,15H,1-2,6-12,14H2
PDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19.9n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair