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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 = 'BDBM50418205'   
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))
BDBM50418205
PNG
(CHEMBL1760669)
Show SMILES OC1(CCNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCC1
Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)33-19-4-1-3-17(12-19)15-30-20-6-5-16(14-28)11-18(20)13-21(30)22(31)29-10-9-23(32)7-2-8-23/h1,3-6,11-13,32H,2,7-10,15H2,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.63n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair