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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 = 'BDBM50262392'   
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))
BDBM50262392
PNG
(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3cnc4ccccc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14ClFN4O2/c21-16-10-13(22)5-6-15(16)20-25-19(28-26-20)8-7-18(27)24-14-9-12-3-1-2-4-17(12)23-11-14/h1-6,9-11H,7-8H2,(H,24,27)
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 559n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced increase in intracellular cAMP


Bioorg Med Chem Lett 18: 4267-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.096
BindingDB Entry DOI: 10.7270/Q21C1WQ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50262392
PNG
(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3cnc4ccccc4c3)n2)c(Cl)c1
Show InChI InChI=1S/C20H14ClFN4O2/c21-16-10-13(22)5-6-15(16)20-25-19(28-26-20)8-7-18(27)24-14-9-12-3-1-2-4-17(12)23-11-14/h1-6,9-11H,7-8H2,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 403n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in insect Sf9 cells assessed as effect on Eu-GTP binding


Bioorg Med Chem Lett 18: 4267-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.096
BindingDB Entry DOI: 10.7270/Q21C1WQ8
More data for this
Ligand-Target Pair