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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 = 'BDBM50272393'   
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))
BDBM50272393
PNG
(6-Chloro-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCNc3nc4ccc(Cl)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2FN4OS/c19-10-3-6-14-15(8-10)27-18(23-14)22-7-1-2-16-24-17(25-26-16)12-5-4-11(21)9-13(12)20/h3-6,8-9H,1-2,7H2,(H,22,23)
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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))
BDBM50272393
PNG
(6-Chloro-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCNc3nc4ccc(Cl)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2FN4OS/c19-10-3-6-14-15(8-10)27-18(23-14)22-7-1-2-16-24-17(25-26-16)12-5-4-11(21)9-13(12)20/h3-6,8-9H,1-2,7H2,(H,22,23)
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n/an/an/an/a 3.30E+3n/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))
BDBM50272393
PNG
(6-Chloro-N-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-o...)
Show SMILES Fc1ccc(-c2noc(CCCNc3nc4ccc(Cl)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C18H13Cl2FN4OS/c19-10-3-6-14-15(8-10)27-18(23-14)22-7-1-2-16-24-17(25-26-16)12-5-4-11(21)9-13(12)20/h3-6,8-9H,1-2,7H2,(H,22,23)
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