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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 = 'BDBM50140227'   
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))
BDBM50140227
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CC3CCCC3C2)c1C#C)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3N4O/c1-2-22-23(25(33)30-31-13-15-4-3-5-16(15)14-31)29-24(20-11-8-18(27)12-21(20)28)32(22)19-9-6-17(26)7-10-19/h1,6-12,15-16H,3-5,13-14H2,(H,30,33)
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PC cid
PC sid
UniChem
Article
PubMed
770n/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