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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 = 'BDBM50310058'   
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))
BDBM50310058
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloropheny...)
Show SMILES FC(F)(F)C1(CC1)NC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C23H17Cl2F3N6O/c24-15-7-5-14(6-8-15)20-16(11-33-13-29-12-30-33)19(21(35)31-22(9-10-22)23(26,27)28)32-34(20)18-4-2-1-3-17(18)25/h1-8,12-13H,9-11H2,(H,31,35)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.75n/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