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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 = 'BDBM50364941'   
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))
BDBM50364941
PNG
(CHEMBL1950357)
Show SMILES CCOc1ccc(Cn2c3CCN(Cc3c3cc(ccc23)C(=O)N2CCC(C)CC2)C2CCOCC2)cc1
Show InChI InChI=1S/C32H41N3O3/c1-3-38-27-7-4-24(5-8-27)21-35-30-9-6-25(32(36)33-15-10-23(2)11-16-33)20-28(30)29-22-34(17-12-31(29)35)26-13-18-37-19-14-26/h4-9,20,23,26H,3,10-19,21-22H2,1-2H3
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Article
PubMed
51n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 1619-24 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.124
BindingDB Entry DOI: 10.7270/Q24J0FJX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364941
PNG
(CHEMBL1950357)
Show SMILES CCOc1ccc(Cn2c3CCN(Cc3c3cc(ccc23)C(=O)N2CCC(C)CC2)C2CCOCC2)cc1
Show InChI InChI=1S/C32H41N3O3/c1-3-38-27-7-4-24(5-8-27)21-35-30-9-6-25(32(36)33-15-10-23(2)11-16-33)20-28(30)29-22-34(17-12-31(29)35)26-13-18-37-19-14-26/h4-9,20,23,26H,3,10-19,21-22H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 53n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 EBNA cells by [35S]GTPgamma binding assay


Bioorg Med Chem Lett 22: 1619-24 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.124
BindingDB Entry DOI: 10.7270/Q24J0FJX
More data for this
Ligand-Target Pair