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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 = 'BDBM50418216'   
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))
BDBM50418216
PNG
(CHEMBL1760658)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1)C(C)(C)C
Show InChI InChI=1S/C27H31N3O3/c1-26(2,3)21-6-8-24(33-4)20(12-21)15-30-22-7-5-18(14-28)11-19(22)13-23(30)25(32)29-16-27(17-31)9-10-27/h5-8,11-13,31H,9-10,15-17H2,1-4H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.48n/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