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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 = 'BDBM50272232'   
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))
BDBM50272232
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3Cl)ccc12
Show InChI InChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32)
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.400n/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))
BDBM50272232
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3Cl)ccc12
Show InChI InChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32)
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80n/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))
BDBM50272232
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCc3nc(no3)-c3ccc(F)cc3Cl)ccc12
Show InChI InChI=1S/C25H20ClFN4O2/c1-2-31-21-6-4-3-5-17(21)19-14-16(8-10-22(19)31)28-23(32)11-12-24-29-25(30-33-24)18-9-7-15(27)13-20(18)26/h3-10,13-14H,2,11-12H2,1H3,(H,28,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.600n/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