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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 = 'BDBM50140236'   
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))
BDBM50140236
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES Clc1ccc(cc1)-n1nc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C22H20Cl3N5O/c23-15-4-7-17(8-5-15)30-21(18-9-6-16(24)10-19(18)25)26-20(27-30)22(31)28-29-11-13-2-1-3-14(13)12-29/h4-10,13-14H,1-3,11-12H2,(H,28,31)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
137n/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