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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 = 'BDBM50354136'   
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))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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