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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 = 'BDBM50298923'   
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))
BDBM50298923
PNG
(CHEMBL573099 | N-(4-Chlorophenyl)1-(2,4-difluoroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1 |(3.04,-1.34,;2.57,.12,;3.47,1.36,;2.57,2.61,;1.1,2.13,;-.14,3.04,;1.1,.59,;-.14,-.31,;-1.61,.17,;-2.08,1.63,;-2.51,-1.08,;-1.61,-2.32,;-.14,-1.85,;1.1,-2.76,;2.51,-2.13,;3.76,-3.03,;3.6,-4.57,;4.84,-5.47,;2.19,-5.19,;.94,-4.28,;-.47,-4.91,;-4.05,-1.08,;-4.82,.25,;-4.82,-2.42,;-6.36,-2.42,;-7.13,-3.75,;-8.67,-3.75,;-9.44,-2.42,;-10.98,-2.42,;-8.67,-1.08,;-7.13,-1.08,)|
Show InChI InChI=1S/C23H19ClF2N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
560n/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