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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 = 'BDBM50305410'   
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))
BDBM50305410
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2-chlorop...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)Nc1cccnc1Cl
Show InChI InChI=1S/C23H14Cl3N5O/c24-15-9-7-14(8-10-15)21-16(11-12-27)20(23(32)29-18-5-3-13-28-22(18)26)30-31(21)19-6-2-1-4-17(19)25/h1-10,13H,11H2,(H,29,32)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair