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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 = 'BDBM50298919'   
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))
BDBM50298919
PNG
(CHEMBL574971 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)c(Cl)c1 |(30.25,-15.79,;29.78,-14.32,;30.68,-13.07,;29.78,-11.83,;28.32,-12.31,;27.07,-11.4,;28.32,-13.84,;27.07,-14.75,;25.61,-14.27,;25.13,-12.81,;24.7,-15.52,;25.61,-16.77,;27.07,-16.29,;28.32,-17.19,;29.72,-16.57,;30.96,-17.47,;30.81,-19,;32.05,-19.9,;29.4,-19.63,;28.15,-18.72,;26.75,-19.34,;23.16,-15.52,;22.39,-14.18,;22.39,-16.84,;20.86,-16.84,;20.09,-18.18,;18.55,-18.18,;17.78,-16.84,;16.24,-16.84,;15.47,-18.18,;13.93,-18.18,;16.24,-19.51,;15.47,-20.85,;17.78,-19.51,)|
Show InChI InChI=1S/C25H22Cl2F2N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-7-18(28)13-21(22)29)24(34)30-11-10-17-6-8-19(26)20(27)12-17/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
54n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair