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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 = 'BDBM50023672'   
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))
BDBM50023672
PNG
(CHEMBL3341884)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C24H27N5O/c1-28(2)21-13-11-19(12-14-21)25-24(30)26-20-8-5-7-18(17-20)22-9-6-10-23(27-22)29-15-3-4-16-29/h5-14,17H,3-4,15-16H2,1-2H3,(H2,25,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair