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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 = 'BDBM50272277'   
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))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.90n/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))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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PC sid
UniChem
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n/an/an/an/a 3n/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))
BDBM50272277
PNG
(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-y...)
Show SMILES Fc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)n2)c(Cl)c1
Show InChI InChI=1S/C19H11ClF4N4O3S/c20-12-7-9(21)1-3-11(12)17-27-16(31-28-17)6-5-15(29)26-18-25-13-4-2-10(8-14(13)32-18)30-19(22,23)24/h1-4,7-8H,5-6H2,(H,25,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.5n/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