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PubMed code 19520572

Compile data set for download or QSAR
Found 55 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


(Homo sapiens (Human))		BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(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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 1.90n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198507
PNG
(2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)|
Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3
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 2.20n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296148
PNG
(2-[2-(2,4,6-Trimethyl-phenoxy)-acetylamino]-4,5,6,...)
Show SMILES Cc1cc(C)c(OCC(=O)Nc2sc3CCCCc3c2C(=O)NC2CCS(=O)(=O)C2)c(C)c1
Show InChI InChI=1S/C24H30N2O5S2/c1-14-10-15(2)22(16(3)11-14)31-12-20(27)26-24-21(18-6-4-5-7-19(18)32-24)23(28)25-17-8-9-33(29,30)13-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,25,28)(H,26,27)
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 58n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296142
PNG
(1-(1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(4-mor...)
Show SMILES COc1cccc(c1)N1C(N(N=C1C(C)=O)c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:12|
Show InChI InChI=1S/C27H27ClN4O3/c1-19(33)26-29-32(23-12-8-21(28)9-13-23)27(31(26)24-4-3-5-25(18-24)34-2)20-6-10-22(11-7-20)30-14-16-35-17-15-30/h3-13,18,27H,14-17H2,1-2H3
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 227n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296143
PNG
(4-(indolin-1-ylsulfonyl)-N-(2-phenoxyphenyl)benzam...)
Show SMILES O=C(Nc1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C27H22N2O4S/c30-27(28-24-11-5-7-13-26(24)33-22-9-2-1-3-10-22)21-14-16-23(17-15-21)34(31,32)29-19-18-20-8-4-6-12-25(20)29/h1-17H,18-19H2,(H,28,30)
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 256n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296144
PNG
(2-(7,7-dimethyl-2-p-tolyl-7,8-dihydro-5H-pyrano[4,...)
Show SMILES COc1ccccc1NC(=O)C(C)Sc1nc(nc2CC(C)(C)OCc12)-c1ccc(C)cc1
Show InChI InChI=1S/C26H29N3O3S/c1-16-10-12-18(13-11-16)23-27-21-14-26(3,4)32-15-19(21)25(29-23)33-17(2)24(30)28-20-8-6-7-9-22(20)31-5/h6-13,17H,14-15H2,1-5H3,(H,28,30)
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 264n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296145
PNG
(CHEMBL555341 | ethyl 2-(6-bromo-2-(4-fluorophenyl)...)
Show SMILES CCOC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H22BrFN2O2/c1-2-30-22(29)15-28-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)27-24(28)17-8-11-19(26)12-9-17/h3-14,23-24,27H,2,15H2,1H3
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 273n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296146
PNG
(CHEMBL557921 | ethyl 4-(3-(2-chlorophenyl)-1-(2,4-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccc(C)cc1C)-c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN4O3/c1-4-33-25(32)29-13-11-28(12-14-29)24(31)23-16-21(19-7-5-6-8-20(19)26)27-30(23)22-10-9-17(2)15-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3
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 287n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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 290n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296147
PNG
(3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12
Show InChI InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)
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 308n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296148
PNG
(2-[2-(2,4,6-Trimethyl-phenoxy)-acetylamino]-4,5,6,...)
Show SMILES Cc1cc(C)c(OCC(=O)Nc2sc3CCCCc3c2C(=O)NC2CCS(=O)(=O)C2)c(C)c1
Show InChI InChI=1S/C24H30N2O5S2/c1-14-10-15(2)22(16(3)11-14)31-12-20(27)26-24-21(18-6-4-5-7-19(18)32-24)23(28)25-17-8-9-33(29,30)13-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,25,28)(H,26,27)
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 325n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296150
PNG
(2-(1-(4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihyd...)
Show SMILES CC(N1C(=O)C2CCCCC2C1=O)C(=O)N1c2ccccc2C(C)(CC1(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O3/c1-18(31-26(34)21-9-5-6-10-22(21)27(31)35)25(33)32-24-12-8-7-11-23(24)29(4,17-28(32,2)3)19-13-15-20(30)16-14-19/h7-8,11-16,18,21-22H,5-6,9-10,17H2,1-4H3
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 520n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296149
PNG
(CHEMBL550309 | N-cyclopropyl-N-(2-oxo-2-(4-p-tolyl...)
Show SMILES Cc1ccc(cc1)C1N(C(=O)CN(C2CC2)C(=O)C2CCCC2)c2ccccc2-n2cccc12
Show InChI InChI=1S/C29H31N3O2/c1-20-12-14-21(15-13-20)28-26-11-6-18-30(26)24-9-4-5-10-25(24)32(28)27(33)19-31(23-16-17-23)29(34)22-7-2-3-8-22/h4-6,9-15,18,22-23,28H,2-3,7-8,16-17,19H2,1H3
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 520n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296151
PNG
(CHEMBL559035 | N-benzhydryl-5-(3,5-dimethylpiperid...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29FN2O3S/c1-19-15-20(2)18-30(17-19)34(32,33)23-13-14-25(28)24(16-23)27(31)29-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,19-20,26H,15,17-18H2,1-2H3,(H,29,31)
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 611n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296152
PNG
(CHEMBL562123 | N-(2-(4-(4-fluorophenyl)-6,7-dihydr...)
Show SMILES CC(C)CN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)c1ccco1
Show InChI InChI=1S/C24H25FN2O3S/c1-16(2)14-26(24(29)20-4-3-12-30-20)15-22(28)27-11-9-21-19(10-13-31-21)23(27)17-5-7-18(25)8-6-17/h3-8,10,12-13,16,23H,9,11,14-15H2,1-2H3
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 875n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296170
PNG
(CHEMBL549501 | methyl N-4-(5-(thiophen-2-yl)-3-(tr...)
Show SMILES CS\C(=N/S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccs1)C(F)(F)F)N1CCCC1
Show InChI InChI=1S/C20H19F3N4O2S3/c1-30-19(26-10-2-3-11-26)25-32(28,29)15-8-6-14(7-9-15)27-16(17-5-4-12-31-17)13-18(24-27)20(21,22)23/h4-9,12-13H,2-3,10-11H2,1H3/b25-19-
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 1.00E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
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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>1.00E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296153
PNG
(CHEMBL550514 | N-(2-(4-(4-fluorophenyl)pyrrolo[1,2...)
Show SMILES CC(C)N(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(F)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C28H32FN3O2/c1-19(2)31(25(33)17-28(3,4)5)18-26(34)32-23-10-7-6-9-22(23)30-16-8-11-24(30)27(32)20-12-14-21(29)15-13-20/h6-16,19,27H,17-18H2,1-5H3
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 1.03E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296154
PNG
(CHEMBL563830 | N-phenyl-N-(1-(phenylcarbamoyl)cycl...)
Show SMILES O=C(Nc1ccccc1)C1(CCCCC1)N(C(=O)c1ccc(cc1)-n1cnnn1)c1ccccc1
Show InChI InChI=1S/C27H26N6O2/c34-25(21-14-16-23(17-15-21)32-20-28-30-31-32)33(24-12-6-2-7-13-24)27(18-8-3-9-19-27)26(35)29-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H,29,35)
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 1.05E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296146
PNG
(CHEMBL557921 | ethyl 4-(3-(2-chlorophenyl)-1-(2,4-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccc(C)cc1C)-c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN4O3/c1-4-33-25(32)29-13-11-28(12-14-29)24(31)23-16-21(19-7-5-6-8-20(19)26)27-30(23)22-10-9-17(2)15-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3
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 1.07E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296155
PNG
(CHEMBL561663 | ethyl 6'-amino-1-benzyl-5',5',7'-tr...)
Show SMILES CCOC(=O)N1CC=C2C(C1)C1(C(C#N)C(=N)C2(C#N)C#N)C(=O)N(Cc2ccccc2)c2ccccc12 |c:7|
Show InChI InChI=1S/C29H24N6O3/c1-2-38-27(37)34-13-12-20-23(16-34)29(22(14-30)25(33)28(20,17-31)18-32)21-10-6-7-11-24(21)35(26(29)36)15-19-8-4-3-5-9-19/h3-12,22-23,33H,2,13,15-16H2,1H3
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 1.09E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296156
PNG
(CHEMBL551122 | N-benzhydryl-6-(2,6-dimethylmorphol...)
Show SMILES CC1CN(CC(C)O1)c1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+]([O-])=O
Show InChI InChI=1S/C23H25N5O3/c1-16-13-27(14-17(2)31-16)23-21(28(29)30)22(24-15-25-23)26-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,20H,13-14H2,1-2H3,(H,24,25,26)
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 1.18E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50198507
PNG
(2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)|
Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3
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 1.30E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296157
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2,3-dihydrobenz...)
Show SMILES CN(C(C(=O)Nc1ccc2OCCOc2c1)c1ccc(C)cc1)C(=O)\C=C/c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26N2O6/c1-18-3-7-20(8-4-18)27(28(32)29-21-9-11-22-25(16-21)34-14-13-33-22)30(2)26(31)12-6-19-5-10-23-24(15-19)36-17-35-23/h3-12,15-16,27H,13-14,17H2,1-2H3,(H,29,32)/b12-6-
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 1.47E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296158
PNG
(CHEMBL555873 | methyl 4-(4-(9H-fluoren-9-yl)pipera...)
Show SMILES COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H26N2O5S/c1-16-22(25(28)31-3)24(17(2)32-16)33(29,30)27-14-12-26(13-15-27)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-11,23H,12-15H2,1-3H3
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 1.61E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296159
PNG
(CHEMBL564177 | N-(2,6-diisopropylphenyl)-4-(3-(4-m...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)N1CCCN(CC1)c1nc(Cc2ccc(C)cc2)ns1
Show InChI InChI=1S/C28H37N5OS/c1-19(2)23-8-6-9-24(20(3)4)26(23)30-27(34)32-14-7-15-33(17-16-32)28-29-25(31-35-28)18-22-12-10-21(5)11-13-22/h6,8-13,19-20H,7,14-18H2,1-5H3,(H,30,34)
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 1.76E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296160
PNG
(1-(4-(3-(2,4-dimethoxyphenyl)-1-m-tolyl-1H-pyrazol...)
Show SMILES COc1ccc(-c2cc(C(=O)N3CCN(CC3)C(C)=O)n(n2)-c2cccc(C)c2)c(OC)c1
Show InChI InChI=1S/C25H28N4O4/c1-17-6-5-7-19(14-17)29-23(25(31)28-12-10-27(11-13-28)18(2)30)16-22(26-29)21-9-8-20(32-3)15-24(21)33-4/h5-9,14-16H,10-13H2,1-4H3
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 1.94E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296161
PNG
(2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylthi...)
Show SMILES CC(C)NC(=O)C(C)Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C22H23N5OS/c1-14(2)23-21(28)15(3)29-22-24-20-19(25-26-22)17-11-7-8-12-18(17)27(20)13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,23,28)
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 2.27E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296162
PNG
((3-((2-(4,6-dimorpholino-1,3,5-triazin-2-yl)hydraz...)
Show SMILES Cc1ccc(cc1)C(=O)n1cc(CN=Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)c2ccccc12 |w:14.15|
Show InChI InChI=1S/C28H30N8O3/c1-20-6-8-21(9-7-20)25(37)36-19-22(23-4-2-3-5-24(23)36)18-29-33-26-30-27(34-10-14-38-15-11-34)32-28(31-26)35-12-16-39-17-13-35/h2-9,19H,10-18H2,1H3
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 2.30E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296163
PNG
(1-(4-(2-methoxyphenyl)piperazin-1-yl)-2-(4-phenyl-...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C(C)Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H25F3N4O2S/c1-17(23(33)32-14-12-31(13-15-32)20-10-6-7-11-21(20)34-2)35-24-29-19(18-8-4-3-5-9-18)16-22(30-24)25(26,27)28/h3-11,16-17H,12-15H2,1-2H3
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 2.31E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296164
PNG
(2-cyclohexyl-3-(4-methoxyphenyl)-N-(6-methylpyridi...)
Show SMILES COc1ccc(cc1)C1C(C(=O)Nc2cccc(C)n2)c2ccccc2C(=O)N1C1CCCCC1
Show InChI InChI=1S/C29H31N3O3/c1-19-9-8-14-25(30-19)31-28(33)26-23-12-6-7-13-24(23)29(34)32(21-10-4-3-5-11-21)27(26)20-15-17-22(35-2)18-16-20/h6-9,12-18,21,26-27H,3-5,10-11H2,1-2H3,(H,30,31,33)
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 2.40E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296165
PNG
(CHEMBL564343 | N-isopropyl-N-(2-(4-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C1N(CCc2sccc12)C(=O)CN(C(C)C)C(=O)C1CCCCC1
Show InChI InChI=1S/C26H34N2O3S/c1-18(2)28(26(30)20-7-5-4-6-8-20)17-24(29)27-15-13-23-22(14-16-32-23)25(27)19-9-11-21(31-3)12-10-19/h9-12,14,16,18,20,25H,4-8,13,15,17H2,1-3H3
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 2.59E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296166
PNG
(1-benzyl-4-methyl-6-phenyl-3-(phenylsulfonyl)pyrid...)
Show SMILES Cc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H21NO3S/c1-19-17-23(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)25(27)24(19)30(28,29)22-15-9-4-10-16-22/h2-17H,18H2,1H3
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 2.72E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296167
PNG
(2-chloro-N-(2,6-dimethylphenyl)-N-(2-morpholino-2-...)
Show SMILES Cc1cccc(C)c1N(C(=O)C(N1CCOCC1)c1ccc(cc1)[N+]([O-])=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O5/c1-18-6-5-7-19(2)24(18)30(26(32)22-8-3-4-9-23(22)28)27(33)25(29-14-16-36-17-15-29)20-10-12-21(13-11-20)31(34)35/h3-13,25H,14-17H2,1-2H3
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 2.79E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296142
PNG
(1-(1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(4-mor...)
Show SMILES COc1cccc(c1)N1C(N(N=C1C(C)=O)c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:12|
Show InChI InChI=1S/C27H27ClN4O3/c1-19(33)26-29-32(23-12-8-21(28)9-13-23)27(31(26)24-4-3-5-25(18-24)34-2)20-6-10-22(11-7-20)30-14-16-35-17-15-30/h3-13,18,27H,14-17H2,1-2H3
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 3.92E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296168
PNG
(4-(8-benzyl-5-cyano-3,3-dimethyl-3,4-dihydro-1H-py...)
Show SMILES CCCNC(=O)N1CCN(CC1)c1nc(Cc2ccccc2)c2COC(C)(C)Cc2c1C#N
Show InChI InChI=1S/C26H33N5O2/c1-4-10-28-25(32)31-13-11-30(12-14-31)24-21(17-27)20-16-26(2,3)33-18-22(20)23(29-24)15-19-8-6-5-7-9-19/h5-9H,4,10-16,18H2,1-3H3,(H,28,32)
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 3.95E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296147
PNG
(3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12
Show InChI InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)
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 4.95E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296169
PNG
(3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(pyri...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1C(CSC1c1cccc(F)c1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C27H28FN3O2S/c1-27(2,3)20-12-10-18(11-13-20)25(33)31-23(24(32)30-16-22-9-4-5-14-29-22)17-34-26(31)19-7-6-8-21(28)15-19/h4-15,23,26H,16-17H2,1-3H3,(H,30,32)
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 7.49E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296143
PNG
(4-(indolin-1-ylsulfonyl)-N-(2-phenoxyphenyl)benzam...)
Show SMILES O=C(Nc1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C27H22N2O4S/c30-27(28-24-11-5-7-13-26(24)33-22-9-2-1-3-10-22)21-14-16-23(17-15-21)34(31,32)29-19-18-20-8-4-6-12-25(20)29/h1-17H,18-19H2,(H,28,30)
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 1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296151
PNG
(CHEMBL559035 | N-benzhydryl-5-(3,5-dimethylpiperid...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29FN2O3S/c1-19-15-20(2)18-30(17-19)34(32,33)23-13-14-25(28)24(16-23)27(31)29-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,19-20,26H,15,17-18H2,1-2H3,(H,29,31)
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 1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296144
PNG
(2-(7,7-dimethyl-2-p-tolyl-7,8-dihydro-5H-pyrano[4,...)
Show SMILES COc1ccccc1NC(=O)C(C)Sc1nc(nc2CC(C)(C)OCc12)-c1ccc(C)cc1
Show InChI InChI=1S/C26H29N3O3S/c1-16-10-12-18(13-11-16)23-27-21-14-26(3,4)32-15-19(21)25(29-23)33-17(2)24(30)28-20-8-6-7-9-22(20)31-5/h6-13,17H,14-15H2,1-5H3,(H,28,30)
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 1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50296149
PNG
(CHEMBL550309 | N-cyclopropyl-N-(2-oxo-2-(4-p-tolyl...)
Show SMILES Cc1ccc(cc1)C1N(C(=O)CN(C2CC2)C(=O)C2CCCC2)c2ccccc2-n2cccc12
Show InChI InChI=1S/C29H31N3O2/c1-20-12-14-21(15-13-20)28-26-11-6-18-30(26)24-9-4-5-10-25(24)32(28)27(33)19-31(23-16-17-23)29(34)22-7-2-3-8-22/h4-6,9-15,18,22-23,28H,2-3,7-8,16-17,19H2,1H3
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 1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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/an/an/a 4n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296153
PNG
(CHEMBL550514 | N-(2-(4-(4-fluorophenyl)pyrrolo[1,2...)
Show SMILES CC(C)N(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(F)cc1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C28H32FN3O2/c1-19(2)31(25(33)17-28(3,4)5)18-26(34)32-23-10-7-6-9-22(23)30-16-8-11-24(30)27(32)20-12-14-21(29)15-13-20/h6-16,19,27H,17-18H2,1-5H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296142
PNG
(1-(1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(4-mor...)
Show SMILES COc1cccc(c1)N1C(N(N=C1C(C)=O)c1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1 |c:12|
Show InChI InChI=1S/C27H27ClN4O3/c1-19(33)26-29-32(23-12-8-21(28)9-13-23)27(31(26)24-4-3-5-25(18-24)34-2)20-6-10-22(11-7-20)30-14-16-35-17-15-30/h3-13,18,27H,14-17H2,1-2H3
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n/an/an/an/a 600n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296146
PNG
(CHEMBL557921 | ethyl 4-(3-(2-chlorophenyl)-1-(2,4-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccc(C)cc1C)-c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN4O3/c1-4-33-25(32)29-13-11-28(12-14-29)24(31)23-16-21(19-7-5-6-8-20(19)26)27-30(23)22-10-9-17(2)15-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3
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n/an/an/an/a 200n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50230538
PNG
(CHEMBL428779 | N-benzyl-5-(3,5-dimethylpiperidin-1...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 |w:27.30,30.33|
Show InChI InChI=1S/C26H32N2O4S/c1-5-27(17-21-9-7-6-8-10-21)26(29)25-20(4)23-14-22(11-12-24(23)32-25)33(30,31)28-15-18(2)13-19(3)16-28/h6-12,14,18-19H,5,13,15-17H2,1-4H3
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n/an/an/an/a 300n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296148
PNG
(2-[2-(2,4,6-Trimethyl-phenoxy)-acetylamino]-4,5,6,...)
Show SMILES Cc1cc(C)c(OCC(=O)Nc2sc3CCCCc3c2C(=O)NC2CCS(=O)(=O)C2)c(C)c1
Show InChI InChI=1S/C24H30N2O5S2/c1-14-10-15(2)22(16(3)11-14)31-12-20(27)26-24-21(18-6-4-5-7-19(18)32-24)23(28)25-17-8-9-33(29,30)13-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,25,28)(H,26,27)
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n/an/an/an/a 400n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296147
PNG
(3-tert-butyl-1-isopropyl-1-(2-(4-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)NC(C)(C)C)c2ccccc2-n2cccc12
Show InChI InChI=1S/C28H34N4O3/c1-19(2)31(27(34)29-28(3,4)5)18-25(33)32-23-11-8-7-10-22(23)30-17-9-12-24(30)26(32)20-13-15-21(35-6)16-14-20/h7-17,19,26H,18H2,1-6H3,(H,29,34)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296149
PNG
(CHEMBL550309 | N-cyclopropyl-N-(2-oxo-2-(4-p-tolyl...)
Show SMILES Cc1ccc(cc1)C1N(C(=O)CN(C2CC2)C(=O)C2CCCC2)c2ccccc2-n2cccc12
Show InChI InChI=1S/C29H31N3O2/c1-20-12-14-21(15-13-20)28-26-11-6-18-30(26)24-9-4-5-10-25(24)32(28)27(33)19-31(23-16-17-23)29(34)22-7-2-3-8-22/h4-6,9-15,18,22-23,28H,2-3,7-8,16-17,19H2,1H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296143
PNG
(4-(indolin-1-ylsulfonyl)-N-(2-phenoxyphenyl)benzam...)
Show SMILES O=C(Nc1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C27H22N2O4S/c30-27(28-24-11-5-7-13-26(24)33-22-9-2-1-3-10-22)21-14-16-23(17-15-21)34(31,32)29-19-18-20-8-4-6-12-25(20)29/h1-17H,18-19H2,(H,28,30)
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Article
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n/an/an/an/a 200n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296152
PNG
(CHEMBL562123 | N-(2-(4-(4-fluorophenyl)-6,7-dihydr...)
Show SMILES CC(C)CN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)c1ccco1
Show InChI InChI=1S/C24H25FN2O3S/c1-16(2)14-26(24(29)20-4-3-12-30-20)15-22(28)27-11-9-21-19(10-13-31-21)23(27)17-5-7-18(25)8-6-17/h3-8,10,12-13,16,23H,9,11,14-15H2,1-2H3
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n/an/an/an/a 4.40E+3n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296151
PNG
(CHEMBL559035 | N-benzhydryl-5-(3,5-dimethylpiperid...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29FN2O3S/c1-19-15-20(2)18-30(17-19)34(32,33)23-13-14-25(28)24(16-23)27(31)29-26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,19-20,26H,15,17-18H2,1-2H3,(H,29,31)
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n/an/an/an/a 500n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50296144
PNG
(2-(7,7-dimethyl-2-p-tolyl-7,8-dihydro-5H-pyrano[4,...)
Show SMILES COc1ccccc1NC(=O)C(C)Sc1nc(nc2CC(C)(C)OCc12)-c1ccc(C)cc1
Show InChI InChI=1S/C26H29N3O3S/c1-16-10-12-18(13-11-16)23-27-21-14-26(3,4)32-15-19(21)25(29-23)33-17(2)24(30)28-20-8-6-7-9-22(20)31-5/h6-13,17H,14-15H2,1-5H3,(H,28,30)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay

Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%