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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 = 'BDBM50023689'   
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))
BDBM50023689
PNG
(CHEMBL3341865)
Show SMILES CCCCN(CCCC)c1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H31ClN4O/c1-3-5-17-31(18-6-4-2)25-12-8-11-24(30-25)20-9-7-10-23(19-20)29-26(32)28-22-15-13-21(27)14-16-22/h7-16,19H,3-6,17-18H2,1-2H3,(H2,28,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 693n/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