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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 = 'BDBM50309987'   
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))
BDBM50309987
PNG
(4-((1H-1,2,4-Triazol-1-yl)methyl)-1-(2-chloropheny...)
Show SMILES Cc1cc(Cl)cc(C)c1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C28H23Cl3N6O/c1-17-11-21(30)12-18(2)22(17)13-33-28(38)26-23(14-36-16-32-15-34-36)27(19-7-9-20(29)10-8-19)37(35-26)25-6-4-3-5-24(25)31/h3-12,15-16H,13-14H2,1-2H3,(H,33,38)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70n/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