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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 = 'BDBM68318'   
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))
BDBM68318
PNG
(MLS-0401659.0001 | N-(2-ethoxy-5-morpholin-4-ylsul...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c1-2-32-21-10-9-19(33(29,30)25-12-14-31-15-13-25)16-20(21)24-23(28)17-5-7-18(8-6-17)26-11-3-4-22(26)27/h5-10,16H,2-4,11-15H2,1H3,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair