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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 = 'BDBM50244058'   
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))
BDBM50244058
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo[...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(N)=O)cc1
Show InChI InChI=1S/C21H23N3O2/c1-2-26-17-8-5-14(6-9-17)11-20-23-18-12-16(21(22)25)7-10-19(18)24(20)13-15-3-4-15/h5-10,12,15H,2-4,11,13H2,1H3,(H2,22,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair