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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50272313'   
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


(Rattus norvegicus (rat))
BDBM50272313
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(cc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H12ClF4N3O2/c19-14-9-11(20)3-6-13(14)17-25-16(28-26-17)8-7-15(27)24-12-4-1-10(2-5-12)18(21,22)23/h1-6,9H,7-8H2,(H,24,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272313
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(cc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H12ClF4N3O2/c19-14-9-11(20)3-6-13(14)17-25-16(28-26-17)8-7-15(27)24-12-4-1-10(2-5-12)18(21,22)23/h1-6,9H,7-8H2,(H,24,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium binding assay


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272313
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3ccc(cc3)C(F)(F)F)n2)c(Cl)c1
Show InChI InChI=1S/C18H12ClF4N3O2/c19-14-9-11(20)3-6-13(14)17-25-16(28-26-17)8-7-15(27)24-12-4-1-10(2-5-12)18(21,22)23/h1-6,9H,7-8H2,(H,24,27)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair