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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 = 'BDBM50305403'   
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))
BDBM50305403
PNG
(CHEMBL607031 | N-(4-bromo-2-fluorobenzyl)-1-(2-chl...)
Show SMILES Fc1cc(Br)ccc1CNC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H16BrCl2FN4O/c26-17-8-5-16(21(29)13-17)14-31-25(34)23-19(11-12-30)24(15-6-9-18(27)10-7-15)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.510n/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