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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50262505'   
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 2


(Homo sapiens (Human))
BDBM50262505
PNG
((+/-)-N-(((1S,2S)-2-(3-(2-chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(n2)[C@H]2C[C@@H]2CNc2cnc3ccccc3c2)c(Cl)c1 |r|
Show InChI InChI=1S/C21H16ClFN4O/c22-18-9-14(23)5-6-16(18)20-26-21(28-27-20)17-8-13(17)10-24-15-7-12-3-1-2-4-19(12)25-11-15/h1-7,9,11,13,17,24H,8,10H2/t13-,17+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 99n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50262505
PNG
((+/-)-N-(((1S,2S)-2-(3-(2-chloro-4-fluorophenyl)-1...)
Show SMILES Fc1ccc(-c2noc(n2)[C@H]2C[C@@H]2CNc2cnc3ccccc3c2)c(Cl)c1 |r|
Show InChI InChI=1S/C21H16ClFN4O/c22-18-9-14(23)5-6-16(18)20-26-21(28-27-20)17-8-13(17)10-24-15-7-12-3-1-2-4-19(12)25-11-15/h1-7,9,11,13,17,24H,8,10H2/t13-,17+/m1/s1
PDB

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>2.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 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