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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 = 'BDBM50023673'   
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))
BDBM50023673
PNG
(CHEMBL3341885)
Show SMILES O=C(Nc1ccc2OCOc2c1)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H22N4O3/c28-23(25-18-9-10-20-21(14-18)30-15-29-20)24-17-6-3-5-16(13-17)19-7-4-8-22(26-19)27-11-1-2-12-27/h3-10,13-14H,1-2,11-12,15H2,(H2,24,25,28)
PDB

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Article
PubMed
n/an/a 312n/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