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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 = 'BDBM50272344'   
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


(Rattus norvegicus (Rat))
BDBM50272344
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H12ClF4N5O3/c20-14-6-11(21)1-2-13(14)17-28-16(32-29-17)4-3-15(30)27-12-5-10(7-25)18(26-8-12)31-9-19(22,23)24/h1-2,5-6,8H,3-4,9H2,(H,27,30)
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n/an/an/an/a 3.10n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 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 2


(Homo sapiens (Human))
BDBM50272344
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H12ClF4N5O3/c20-14-6-11(21)1-2-13(14)17-28-16(32-29-17)4-3-15(30)27-12-5-10(7-25)18(26-8-12)31-9-19(22,23)24/h1-2,5-6,8H,3-4,9H2,(H,27,30)
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n/an/an/an/a 14n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 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 2


(Homo sapiens (Human))
BDBM50272344
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
Show InChI InChI=1S/C19H12ClF4N5O3/c20-14-6-11(21)1-2-13(14)17-28-16(32-29-17)4-3-15(30)27-12-5-10(7-25)18(26-8-12)31-9-19(22,23)24/h1-2,5-6,8H,3-4,9H2,(H,27,30)
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PC cid
PC sid
UniChem
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n/an/an/an/a 31n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 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