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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 = 'BDBM50140219'   
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))
BDBM50140219
PNG
(1-(4-Chloro-phenyl)-5-cyano-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CC3CCCC3C2)c1C#N)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H20Cl3N5O/c25-16-4-7-18(8-5-16)32-21(11-28)22(29-23(32)19-9-6-17(26)10-20(19)27)24(33)30-31-12-14-2-1-3-15(14)13-31/h4-10,14-15H,1-3,12-13H2,(H,30,33)
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PC cid
PC sid
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Article
PubMed
9n/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