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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50006259'   
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))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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Article
n/an/an/an/a 0.0670n/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.0700n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0700n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0700n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)

More data for this
Ligand-Target Pair