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PubMed code 21835510

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))
BDBM50354137
PNG
(CHEMBL1836187)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c25-18-22(30(28,29)21-9-3-1-4-10-21)17-20-19-27(24-12-6-5-11-23(20)24)16-15-26-13-7-2-8-14-26/h1,3-6,9-12,17,19H,2,7-8,13-16H2/b22-17+
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7.5n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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10.2n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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62n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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1.39E+3n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354137
PNG
(CHEMBL1836187)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c25-18-22(30(28,29)21-9-3-1-4-10-21)17-20-19-27(24-12-6-5-11-23(20)24)16-15-26-13-7-2-8-14-26/h1,3-6,9-12,17,19H,2,7-8,13-16H2/b22-17+
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1.63E+5n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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n/an/a 40.1n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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n/an/a 155n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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n/an/a 5.48E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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n/an/a 6.22E+3n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354136
PNG
(CHEMBL1836121)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C26H28N2O4/c1-2-32-26(30)23(25(29)20-8-4-3-5-9-20)18-21-19-28(24-11-7-6-10-22(21)24)13-12-27-14-16-31-17-15-27/h3-11,18-19H,2,12-17H2,1H3/b23-18+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354134
PNG
(CHEMBL1836188)
Show SMILES CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
Show InChI InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%