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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 = 'BDBM50309992'   
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))
BDBM50309992
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-N-benzyl-5-(4-br...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NCc2ccccc2)c(Cn2cncn2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C26H19BrCl2N6O/c27-19-8-6-18(7-9-19)25-21(14-34-16-30-15-32-34)24(26(36)31-13-17-4-2-1-3-5-17)33-35(25)23-11-10-20(28)12-22(23)29/h1-12,15-16H,13-14H2,(H,31,36)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 13n/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