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BDBM50429837 CHEMBL2338174

SMILES: COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12

InChI Key: InChIKey=ZREKTMNXUFQZAY-UHFFFAOYSA-N

Data: 2 KI  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50429837   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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770n/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)
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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5.20E+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))
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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n/an/an/an/a 1.30E+3n/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 1


(Mus musculus (Mouse))
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,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 mouse CB1 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 1


(Homo sapiens (Human))
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,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 CB1 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


(MOUSE)
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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n/an/an/an/a 23n/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))
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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n/an/an/an/a 27n/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