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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 = 'BDBM50023688'   
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))
BDBM50023688
PNG
(CHEMBL3341864)
Show SMILES CCCN(CCC)c1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H27ClN4O/c1-3-15-29(16-4-2)23-10-6-9-22(28-23)18-7-5-8-21(17-18)27-24(30)26-20-13-11-19(25)12-14-20/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,27,30)
PDB

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Similars

Article
PubMed
n/an/a 372n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair