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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 = 'BDBM50364936'   
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))
BDBM50364936
PNG
(CHEMBL1950352)
Show SMILES CC(C)S(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C26H37N3O4S/c1-18(2)34(31,32)29-24-5-4-20(26(30)27-11-6-19(3)7-12-27)16-22(24)23-17-28(13-8-25(23)29)21-9-14-33-15-10-21/h4-5,16,18-19,21H,6-15,17H2,1-3H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
170n/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))
BDBM50364936
PNG
(CHEMBL1950352)
Show SMILES CC(C)S(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C26H37N3O4S/c1-18(2)34(31,32)29-24-5-4-20(26(30)27-11-6-19(3)7-12-27)16-22(24)23-17-28(13-8-25(23)29)21-9-14-33-15-10-21/h4-5,16,18-19,21H,6-15,17H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 150n/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