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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50202583'   
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


(Rattus norvegicus (rat))
BDBM50202583
PNG
(CHEMBL219156 | N-octadecyl-N'-propylsulfamide)
Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50202583
PNG
(CHEMBL219156 | N-octadecyl-N'-propylsulfamide)
Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair