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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 = 'BDBM50354134'   
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))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair