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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 = 'BDBM50310053'   
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


(Rattus norvegicus (rat))
BDBM50310053
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-N-(azepan-1-yl)-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCCC2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C25H23BrCl2N6O/c26-18-7-5-17(6-8-18)24-20(14-33-16-29-15-30-33)23(25(35)32-11-3-1-2-4-12-32)31-34(24)22-10-9-19(27)13-21(22)28/h5-10,13,15-16H,1-4,11-12,14H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.23n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 18: 1149-62 (2010)


Article DOI: 10.1016/j.bmc.2009.12.040
BindingDB Entry DOI: 10.7270/Q2TD9XG2
More data for this
Ligand-Target Pair