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PubMed code 19128970

Compile data set for download or QSAR
Found 18 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))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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PubMed
 1.98n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 5.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255199
PNG
(1-(4-Chloro-benzyl)-2-methyl-5-phenyl-1H-pyrrole-3...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:32:31:29:25.26.27,THB:32:26:23.31.30:29,27:26:23:30.28.29,27:28:23:25.32.26,22:23:25.32.26:30.28.29,(19.05,-.61,;17.56,-.21,;17.02,1.23,;15.48,1.16,;15.08,-.33,;13.64,-.87,;12.45,.11,;11.01,-.44,;10.76,-1.96,;11.96,-2.93,;13.4,-2.38,;16.36,-1.17,;16.44,-2.71,;17.81,-3.41,;17.88,-4.95,;19.25,-5.65,;20.54,-4.82,;21.91,-5.52,;20.46,-3.27,;19.09,-2.58,;17.84,2.53,;17.13,3.9,;19.38,2.47,;20.38,3.64,;21.57,4.92,;22.9,4.44,;24.3,4.79,;24.3,6.32,;22.9,6.89,;21.56,6.41,;21.87,5.66,;21.88,4.07,;23.29,3.51,)|
Show InChI InChI=1S/C29H31ClN2O/c1-18-26(29(33)31-28-23-12-20-11-21(14-23)15-24(28)13-20)16-27(22-5-3-2-4-6-22)32(18)17-19-7-9-25(30)10-8-19/h2-10,16,20-21,23-24,28H,11-15,17H2,1H3,(H,31,33)
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n/an/a 11n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255203
PNG
((4-amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-p...)
Show SMILES Cc1c(C(=O)c2ccccc2)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3
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n/an/a 41n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255199
PNG
(1-(4-Chloro-benzyl)-2-methyl-5-phenyl-1H-pyrrole-3...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:32:31:29:25.26.27,THB:32:26:23.31.30:29,27:26:23:30.28.29,27:28:23:25.32.26,22:23:25.32.26:30.28.29,(19.05,-.61,;17.56,-.21,;17.02,1.23,;15.48,1.16,;15.08,-.33,;13.64,-.87,;12.45,.11,;11.01,-.44,;10.76,-1.96,;11.96,-2.93,;13.4,-2.38,;16.36,-1.17,;16.44,-2.71,;17.81,-3.41,;17.88,-4.95,;19.25,-5.65,;20.54,-4.82,;21.91,-5.52,;20.46,-3.27,;19.09,-2.58,;17.84,2.53,;17.13,3.9,;19.38,2.47,;20.38,3.64,;21.57,4.92,;22.9,4.44,;24.3,4.79,;24.3,6.32,;22.9,6.89,;21.56,6.41,;21.87,5.66,;21.88,4.07,;23.29,3.51,)|
Show InChI InChI=1S/C29H31ClN2O/c1-18-26(29(33)31-28-23-12-20-11-21(14-23)15-24(28)13-20)16-27(22-5-3-2-4-6-22)32(18)17-19-7-9-25(30)10-8-19/h2-10,16,20-21,23-24,28H,11-15,17H2,1H3,(H,31,33)
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n/an/a 70n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255200
PNG
(4-Bromo-1-(4-chloro-benzyl)-2-methyl-5-phenyl-1H-p...)
Show SMILES Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c(-c2ccccc2)n1Cc1ccc(Cl)cc1 |TLB:15:14:12:8.9.10,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,5:6:8.15.9:13.11.12,(30.12,-1.55,;28.63,-1.15,;28.09,.29,;28.91,1.59,;28.2,2.96,;30.45,1.53,;31.45,2.7,;32.64,3.98,;33.97,3.5,;35.36,3.85,;35.37,5.38,;33.97,5.95,;32.63,5.47,;32.94,4.72,;32.95,3.13,;34.36,2.57,;26.55,.22,;25.58,1.42,;26.14,-1.27,;24.71,-1.81,;23.52,-.83,;22.08,-1.38,;21.83,-2.9,;23.03,-3.88,;24.47,-3.32,;27.43,-2.11,;27.51,-3.65,;28.88,-4.36,;28.95,-5.89,;30.31,-6.59,;31.61,-5.76,;32.98,-6.46,;31.53,-4.21,;30.16,-3.52,)|
Show InChI InChI=1S/C29H30BrClN2O/c1-17-25(29(34)32-27-22-12-19-11-20(14-22)15-23(27)13-19)26(30)28(21-5-3-2-4-6-21)33(17)16-18-7-9-24(31)10-8-18/h2-10,19-20,22-23,27H,11-16H2,1H3,(H,32,34)
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n/an/a 123n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255203
PNG
((4-amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-p...)
Show SMILES Cc1c(C(=O)c2ccccc2)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3
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n/an/a 313n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255157
PNG
(1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)NC1CC2CCC1C2 |TLB:22:23:29:26.27|
Show InChI InChI=1S/C26H27ClN2O/c1-17-23(26(30)28-24-14-19-7-10-21(24)13-19)15-25(20-5-3-2-4-6-20)29(17)16-18-8-11-22(27)12-9-18/h2-6,8-9,11-12,15,19,21,24H,7,10,13-14,16H2,1H3,(H,28,30)
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n/an/a 420n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255202
PNG
((1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H20ClNO/c1-18-23(25(28)21-10-6-3-7-11-21)16-24(20-8-4-2-5-9-20)27(18)17-19-12-14-22(26)15-13-19/h2-16H,17H2,1H3
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n/an/a 498n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255156
PNG
(1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H26ClN3O/c1-18-22(24(29)26-27-14-6-3-7-15-27)16-23(20-8-4-2-5-9-20)28(18)17-19-10-12-21(25)13-11-19/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,26,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255156
PNG
(1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H26ClN3O/c1-18-22(24(29)26-27-14-6-3-7-15-27)16-23(20-8-4-2-5-9-20)28(18)17-19-10-12-21(25)13-11-19/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,26,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255202
PNG
((1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrol-3-...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H20ClNO/c1-18-23(25(28)21-10-6-3-7-11-21)16-24(20-8-4-2-5-9-20)27(18)17-19-12-14-22(26)15-13-19/h2-16H,17H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255157
PNG
(1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-...)
Show SMILES Cc1c(cc(-c2ccccc2)n1Cc1ccc(Cl)cc1)C(=O)NC1CC2CCC1C2 |TLB:22:23:29:26.27|
Show InChI InChI=1S/C26H27ClN2O/c1-17-23(26(30)28-24-14-19-7-10-21(24)13-19)15-25(20-5-3-2-4-6-20)29(17)16-18-8-11-22(27)12-9-18/h2-6,8-9,11-12,15,19,21,24H,7,10,13-14,16H2,1H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255201
PNG
((4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)...)
Show SMILES Cc1[nH]c(c(N)c1C(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H16N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2-11,20H,19H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50255201
PNG
((4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)(phenyl)...)
Show SMILES Cc1[nH]c(c(N)c1C(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H16N2O/c1-12-15(18(21)14-10-6-3-7-11-14)16(19)17(20-12)13-8-4-2-5-9-13/h2-11,20H,19H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255200
PNG
(4-Bromo-1-(4-chloro-benzyl)-2-methyl-5-phenyl-1H-p...)
Show SMILES Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c(-c2ccccc2)n1Cc1ccc(Cl)cc1 |TLB:15:14:12:8.9.10,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,5:6:8.15.9:13.11.12,(30.12,-1.55,;28.63,-1.15,;28.09,.29,;28.91,1.59,;28.2,2.96,;30.45,1.53,;31.45,2.7,;32.64,3.98,;33.97,3.5,;35.36,3.85,;35.37,5.38,;33.97,5.95,;32.63,5.47,;32.94,4.72,;32.95,3.13,;34.36,2.57,;26.55,.22,;25.58,1.42,;26.14,-1.27,;24.71,-1.81,;23.52,-.83,;22.08,-1.38,;21.83,-2.9,;23.03,-3.88,;24.47,-3.32,;27.43,-2.11,;27.51,-3.65,;28.88,-4.36,;28.95,-5.89,;30.31,-6.59,;31.61,-5.76,;32.98,-6.46,;31.53,-4.21,;30.16,-3.52,)|
Show InChI InChI=1S/C29H30BrClN2O/c1-17-25(29(34)32-27-22-12-19-11-20(14-22)15-23(27)13-19)26(30)28(21-5-3-2-4-6-21)33(17)16-18-7-9-24(31)10-8-18/h2-10,19-20,22-23,27H,11-16H2,1H3,(H,32,34)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50255203
PNG
((4-amino-1-(4-chlorobenzyl)-2-methyl-5-phenyl-1H-p...)
Show SMILES Cc1c(C(=O)c2ccccc2)c(N)c(-c2ccccc2)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O/c1-17-22(25(29)20-10-6-3-7-11-20)23(27)24(19-8-4-2-5-9-19)28(17)16-18-12-14-21(26)15-13-18/h2-15H,16,27H2,1H3
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PubMed
n/an/an/an/a 4.90E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Antagonist activity at CB1 receptor in rat cerebellar membrane assessed as inhibition of WIN55,212-2-induced [35S]GTPgammaS binding by liquid scintil...

Bioorg Med Chem Lett 19: 639-43 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.059
BindingDB Entry DOI: 10.7270/Q200020F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%