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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50429834'   
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))
BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
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500n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
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2.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by beta-arrestin recruitment assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
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n/an/an/an/a 22n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB2 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
PDB

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n/an/an/an/a 29n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair