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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 = 'BDBM50006232'   
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))
BDBM50006232
PNG
(CHEMBL3235058)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C17H19F3N4O2/c1-16(2,3)12-8-13(23-26-12)22-15(25)11-6-7-24(11)14-5-4-10(9-21-14)17(18,19)20/h4-5,8-9,11H,6-7H2,1-3H3,(H,22,23,25)/t11-/m0/s1
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Article
PubMed
n/an/an/an/a 0.670n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006232
PNG
(CHEMBL3235058)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C17H19F3N4O2/c1-16(2,3)12-8-13(23-26-12)22-15(25)11-6-7-24(11)14-5-4-10(9-21-14)17(18,19)20/h4-5,8-9,11H,6-7H2,1-3H3,(H,22,23,25)/t11-/m0/s1
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Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006232
PNG
(CHEMBL3235058)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C17H19F3N4O2/c1-16(2,3)12-8-13(23-26-12)22-15(25)11-6-7-24(11)14-5-4-10(9-21-14)17(18,19)20/h4-5,8-9,11H,6-7H2,1-3H3,(H,22,23,25)/t11-/m0/s1
PDB

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PC sid
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Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.019
BindingDB Entry DOI: 10.7270/Q2CN75H1
More data for this
Ligand-Target Pair