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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50402864'   
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))
BDBM50402864
PNG
(CHEMBL2205615)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)
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Article
PubMed
241n/an/an/an/an/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50402864
PNG
(CHEMBL2205615)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)
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Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50402864
PNG
(CHEMBL2205615)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1sc2COCCc2c1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H21F3N2O3S/c22-21(23,24)15-7-3-2-6-13(15)18(27)25-19-17(14-8-11-29-12-16(14)30-19)20(28)26-9-4-1-5-10-26/h2-3,6-7H,1,4-5,8-12H2,(H,25,27)
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair