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PubMed code 19762126

Compile data set for download or QSAR
Found 16 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 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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PubMed
132n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300767
PNG
(CHEMBL570566 | {[(9Z)-octadec-9-en-1-yl]sulfamoyl}...)
Show SMILES CCCCCCCC\C=C/CCCCCCCCNS(N)(=O)=O
Show InChI InChI=1S/C18H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h9-10,20H,2-8,11-18H2,1H3,(H2,19,21,22)/b10-9-
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1.89E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300765
PNG
(CHEMBL583108 | N-(cis-5-cis-8-cis-11-cis-14-eicosa...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C23H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(26,27)24-22-4-2/h8-9,11-12,14-15,17-18,24-25H,3-7,10,13,16,19-23H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
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2.34E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300770
PNG
(CHEMBL568489 | N-(cis-5-cis-8-cis-11-cis-14-eicosa...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCNS(N)(=O)=O
Show InChI InChI=1S/C20H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(21,23)24/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-20H2,1H3,(H2,21,23,24)/b7-6-,10-9-,13-12-,16-15-
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4.01E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300769
PNG
(CHEMBL374746 | N-(1-adamantyl)-N'-propylsulfamide)
Show SMILES CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,2-9H2,1H3
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4.23E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300771
PNG
(CHEMBL570988 | N-(cis-9-cis-12-octadecadienyl)sulf...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCNS(N)(=O)=O
Show InChI InChI=1S/C18H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H2,19,21,22)/b7-6-,10-9-
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6.41E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50202584
PNG
(CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide)
Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)|
Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3
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6.67E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300766
PNG
(CHEMBL569658 | N-(cis-9-cis-12-octadecadienyl)-N'-...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C21H42N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h8-9,11-12,22-23H,3-7,10,13-21H2,1-2H3/b9-8-,12-11-
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7.19E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300769
PNG
(CHEMBL374746 | N-(1-adamantyl)-N'-propylsulfamide)
Show SMILES CCCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|
Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,2-9H2,1H3
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8.58E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50202583
PNG
(CHEMBL219156 | N-octadecyl-N'-propylsulfamide)
Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3
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9.10E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50202579
PNG
(CHEMBL218794 | N-octadecylsulfamide)
Show SMILES CCCCCCCCCCCCCCCCCCNS(N)(=O)=O
Show InChI InChI=1S/C18H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19,21)22/h20H,2-18H2,1H3,(H2,19,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50202584
PNG
(CHEMBL218643 | N-(2-adamantyl)-N'-propylsulfamide)
Show SMILES CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:16:12.11.10:14,THB:17:11:14:15.16.8,7:8:12.11.10:14,12:11:13.14.15:8,12:13:11.10.17:8,(23.16,-18.46,;21.75,-17.83,;20.5,-18.72,;19.09,-18.09,;17.76,-18.87,;18.55,-20.21,;16.97,-17.56,;16.45,-19.66,;15.19,-18.76,;13.74,-19.3,;12.91,-18.13,;12.89,-16.71,;11.26,-16.06,;12.2,-17.31,;12.19,-18.83,;13.68,-16.73,;15.22,-17.24,;14.27,-16.16,)|
Show InChI InChI=1S/C13H24N2O2S/c1-2-3-14-18(16,17)15-13-11-5-9-4-10(7-11)8-12(13)6-9/h9-15H,2-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300768
PNG
(CHEMBL437157 | N-(1-(1-adamantyl)ethyl)-N'-propyls...)
Show SMILES CCCNS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C15H28N2O2S/c1-3-4-16-20(18,19)17-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16-17H,3-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300764
PNG
(CHEMBL571044 | N-oleyl-N'-propylsulfamide)
Show SMILES CCCCCCCC\C=C/CCCCCCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h11-12,22-23H,3-10,13-21H2,1-2H3/b12-11-
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>1.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50202583
PNG
(CHEMBL219156 | N-octadecyl-N'-propylsulfamide)
Show SMILES CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C21H46N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h22-23H,3-21H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50300768
PNG
(CHEMBL437157 | N-(1-(1-adamantyl)ethyl)-N'-propyls...)
Show SMILES CCCNS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C15H28N2O2S/c1-3-4-16-20(18,19)17-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16-17H,3-10H2,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting


Eur J Med Chem 44: 4889-95 (2009)


Article DOI: 10.1016/j.ejmech.2009.08.003
BindingDB Entry DOI: 10.7270/Q2PR7W2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%