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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 = 'BDBM50140226'   
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))
BDBM50140226
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES CC1CCC(CC1)NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(n1)-c1ccc(Cl)cc1 |(7.1,3.77,;5.63,3.3,;4.49,4.32,;3.03,3.86,;2.71,2.34,;3.85,1.32,;5.31,1.79,;1.26,1.88,;.12,2.89,;.43,4.39,;-1.37,2.41,;-2.61,3.32,;-3.86,2.41,;-5.32,2.89,;-6.46,1.85,;-7.93,2.32,;-8.26,3.83,;-9.75,4.25,;-7.11,4.86,;-5.65,4.39,;-4.55,5.49,;-3.39,.93,;-1.84,.93,;-4.3,-.31,;-3.67,-1.71,;-4.56,-2.96,;-6.11,-2.8,;-6.89,-4.13,;-6.74,-1.38,;-5.83,-.14,)|
Show InChI InChI=1S/C22H21Cl3N4O/c1-13-2-7-16(8-3-13)26-22(30)20-27-21(18-11-6-15(24)12-19(18)25)29(28-20)17-9-4-14(23)5-10-17/h4-6,9-13,16H,2-3,7-8H2,1H3,(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
94n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair