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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'fantini' and Initial = 'n'   
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))
BDBM50298944
PNG
(CHEMBL576549 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-16-8-4-2-3-5-9-16)26-28(22(15)27-12-6-7-13-27)17-10-11-18(23)19(24)14-17/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298942
PNG
((R)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298941
PNG
((S)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298941
PNG
((S)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298936
PNG
(CHEMBL579249 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |(31.5,-24.15,;32.38,-22.88,;33.91,-22.86,;34.37,-21.39,;33.1,-20.5,;33.07,-18.96,;31.88,-21.43,;30.4,-20.98,;29.9,-19.53,;30.78,-18.26,;28.36,-19.56,;27.91,-21.02,;29.17,-21.91,;29.2,-23.45,;27.88,-24.24,;27.91,-25.78,;29.26,-26.52,;29.29,-28.06,;30.58,-25.73,;31.92,-26.48,;30.55,-24.2,;27.44,-18.33,;28.03,-16.91,;25.91,-18.52,;24.96,-17.28,;23.48,-17.59,;22.3,-16.6,;22.34,-15.06,;23.56,-14.14,;25.05,-14.51,;25.71,-15.94,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-18-8-6-4-5-7-9-18)28-30(24)19-12-13-20(25)21(26)14-19/h10-14,18H,4-9H2,1-3H3,(H,27,31)
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4.20n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298935
PNG
(CHEMBL575382 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:23:24:27.26.31:29,25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,(1.92,-40.22,;2.36,-38.57,;3.89,-38.49,;4.29,-36.99,;3,-36.16,;2.91,-34.62,;1.8,-37.13,;.31,-36.74,;-.25,-35.29,;.6,-34,;-1.79,-35.38,;-2.19,-36.87,;-.89,-37.71,;-.8,-39.25,;-2.1,-40.09,;-2.01,-41.63,;-.64,-42.33,;-.55,-43.87,;.65,-41.48,;2.03,-42.18,;.57,-39.95,;-2.76,-34.18,;-2.21,-32.74,;-4.28,-34.43,;-5.25,-33.23,;-6.2,-34.42,;-7.52,-33.9,;-8.92,-34.29,;-7.8,-33.1,;-7.81,-31.71,;-6.55,-31.26,;-7.52,-32.42,;-5.24,-31.8,;-6.56,-33.55,)|
Show InChI InChI=1S/C27H30Cl2N4O/c1-15-4-5-16(2)32(15)26-17(3)24(31-33(26)21-6-7-22(28)23(29)11-21)25(34)30-27-12-18-8-19(13-27)10-20(9-18)14-27/h4-7,11,18-20H,8-10,12-14H2,1-3H3,(H,30,34)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298944
PNG
(CHEMBL576549 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-16-8-4-2-3-5-9-16)26-28(22(15)27-12-6-7-13-27)17-10-11-18(23)19(24)14-17/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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5.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298934
PNG
(CHEMBL574270 | N-[1-(1-Phenyl)ethyl]1-(3,4-dichlor...)
Show SMILES CC(NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)c1ccccc1 |(8.9,-29.05,;8.35,-30.49,;9.32,-31.69,;10.84,-31.44,;11.39,-30,;11.81,-32.64,;11.41,-34.12,;12.71,-34.96,;13.91,-33.99,;13.35,-32.55,;14.19,-31.26,;15.39,-34.39,;15.95,-35.82,;15.11,-37.12,;17.49,-35.75,;17.89,-34.25,;16.59,-33.42,;16.51,-31.88,;12.8,-36.5,;11.5,-37.34,;11.59,-38.88,;12.96,-39.58,;13.05,-41.12,;14.25,-38.74,;15.63,-39.43,;14.17,-37.2,;6.83,-30.74,;5.86,-29.54,;4.34,-29.78,;3.79,-31.22,;4.77,-32.42,;6.28,-32.17,)|
Show InChI InChI=1S/C25H24Cl2N4O/c1-15-10-11-16(2)30(15)25-17(3)23(24(32)28-18(4)19-8-6-5-7-9-19)29-31(25)20-12-13-21(26)22(27)14-20/h5-14,18H,1-4H3,(H,28,32)
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5.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298935
PNG
(CHEMBL575382 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:23:24:27.26.31:29,25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,(1.92,-40.22,;2.36,-38.57,;3.89,-38.49,;4.29,-36.99,;3,-36.16,;2.91,-34.62,;1.8,-37.13,;.31,-36.74,;-.25,-35.29,;.6,-34,;-1.79,-35.38,;-2.19,-36.87,;-.89,-37.71,;-.8,-39.25,;-2.1,-40.09,;-2.01,-41.63,;-.64,-42.33,;-.55,-43.87,;.65,-41.48,;2.03,-42.18,;.57,-39.95,;-2.76,-34.18,;-2.21,-32.74,;-4.28,-34.43,;-5.25,-33.23,;-6.2,-34.42,;-7.52,-33.9,;-8.92,-34.29,;-7.8,-33.1,;-7.81,-31.71,;-6.55,-31.26,;-7.52,-32.42,;-5.24,-31.8,;-6.56,-33.55,)|
Show InChI InChI=1S/C27H30Cl2N4O/c1-15-4-5-16(2)32(15)26-17(3)24(31-33(26)21-6-7-22(28)23(29)11-21)25(34)30-27-12-18-8-19(13-27)10-20(9-18)14-27/h4-7,11,18-20H,8-10,12-14H2,1-3H3,(H,30,34)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298937
PNG
(CHEMBL575395 | N-Cyclopentyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 |(13.91,-22.91,;14.79,-21.64,;16.32,-21.61,;16.76,-20.13,;15.5,-19.26,;15.46,-17.72,;14.28,-20.19,;12.8,-19.75,;12.29,-18.29,;13.16,-17.03,;10.75,-18.33,;10.31,-19.81,;11.57,-20.69,;11.61,-22.23,;10.3,-23.03,;10.34,-24.57,;11.69,-25.3,;11.72,-26.85,;13,-24.5,;14.35,-25.24,;12.96,-22.97,;9.81,-17.11,;10.4,-15.69,;8.29,-17.31,;7.35,-16.09,;5.81,-16.13,;5.3,-14.67,;6.52,-13.74,;7.79,-14.61,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-16-6-4-5-7-16)26-28(22)17-10-11-18(23)19(24)12-17/h8-12,16H,4-7H2,1-3H3,(H,25,29)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
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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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
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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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298945
PNG
(CHEMBL577165 | N-Cyclopentyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-14-6-2-3-7-14)24-26(20(13)25-10-4-5-11-25)15-8-9-16(21)17(22)12-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298936
PNG
(CHEMBL579249 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |(31.5,-24.15,;32.38,-22.88,;33.91,-22.86,;34.37,-21.39,;33.1,-20.5,;33.07,-18.96,;31.88,-21.43,;30.4,-20.98,;29.9,-19.53,;30.78,-18.26,;28.36,-19.56,;27.91,-21.02,;29.17,-21.91,;29.2,-23.45,;27.88,-24.24,;27.91,-25.78,;29.26,-26.52,;29.29,-28.06,;30.58,-25.73,;31.92,-26.48,;30.55,-24.2,;27.44,-18.33,;28.03,-16.91,;25.91,-18.52,;24.96,-17.28,;23.48,-17.59,;22.3,-16.6,;22.34,-15.06,;23.56,-14.14,;25.05,-14.51,;25.71,-15.94,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-18-8-6-4-5-7-9-18)28-30(24)19-12-13-20(25)21(26)14-19/h10-14,18H,4-9H2,1-3H3,(H,27,31)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298942
PNG
((R)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332886
PNG
(CHEMBL1631294 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H20Cl2N4O/c1-12-16(17(26)22-19(2,3)4)23-25(18(12)24-9-5-6-10-24)15-8-7-13(20)11-14(15)21/h5-11H,1-4H3,(H,22,26)
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14.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298958
PNG
(CHEMBL572887 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-17-8-4-2-3-5-9-17)26-28(22(15)27-12-6-7-13-27)19-11-10-16(23)14-18(19)24/h6-7,10-14,17H,2-5,8-9H2,1H3,(H,25,29)
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20n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298943
PNG
(CHEMBL578848 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C25H26Cl2N4O/c1-15-22(23(32)28-25-12-16-8-17(13-25)10-18(9-16)14-25)29-31(24(15)30-6-2-3-7-30)19-4-5-20(26)21(27)11-19/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,32)
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20n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298958
PNG
(CHEMBL572887 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-17-8-4-2-3-5-9-17)26-28(22(15)27-12-6-7-13-27)19-11-10-16(23)14-18(19)24/h6-7,10-14,17H,2-5,8-9H2,1H3,(H,25,29)
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20n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332891
PNG
(CHEMBL1631297 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C |(5.09,-3.79,;4.63,-5.26,;3.18,-5.74,;3.18,-7.27,;4.65,-7.75,;5.13,-9.21,;5.55,-6.51,;7.08,-6.43,;7.62,-4.99,;6.79,-3.68,;9.14,-5.06,;9.56,-6.53,;8.28,-7.39,;8.28,-8.94,;6.95,-9.71,;6.95,-11.25,;8.28,-12.02,;8.28,-13.56,;9.62,-11.25,;9.61,-9.7,;10.96,-8.92,;9.92,-3.71,;9.16,-2.39,;11.47,-3.71,;12.24,-5.04,;13.78,-5.03,;11.47,-6.37,;13.17,-6.24,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-12-7-8-13(2)26(12)20-14(3)18(19(28)24-21(4,5)6)25-27(20)17-10-9-15(22)11-16(17)23/h7-11H,1-6H3,(H,24,28)
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20.2n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21259
PNG
(1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;3.74,7.74,;4.28,6.3,;5.8,6.04,;6.78,7.23,;8.3,6.98,;6.24,8.67,;7.22,9.86,;4.72,8.93,)|
Show InChI InChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(25)11-20(21)28)23(33)29-12-16-6-8-18(26)19(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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28n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298954
PNG
(CHEMBL575184 | N-[2-(4-Chlorophenyl)ethyl]1-(2,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1 |(32.02,-40.77,;32.93,-39.53,;34.47,-39.54,;34.95,-38.08,;33.71,-37.17,;33.72,-35.63,;32.46,-38.07,;31,-37.59,;30.53,-36.12,;31.44,-34.87,;28.99,-36.11,;28.51,-37.57,;29.75,-38.49,;29.74,-40.02,;31.07,-40.8,;31.06,-42.33,;29.72,-43.1,;29.72,-44.64,;28.39,-42.33,;28.41,-40.78,;27.07,-40.01,;28.09,-34.86,;28.72,-33.45,;26.55,-35.01,;25.65,-33.76,;24.13,-33.91,;23.23,-32.66,;21.69,-32.81,;20.79,-31.56,;21.43,-30.16,;20.53,-28.91,;22.96,-30.01,;23.86,-31.26,)|
Show InChI InChI=1S/C25H23Cl3N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)22-11-10-20(27)14-21(22)28)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)
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30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298943
PNG
(CHEMBL578848 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Show InChI InChI=1S/C25H26Cl2N4O/c1-15-22(23(32)28-25-12-16-8-17(13-25)10-18(9-16)14-25)29-31(24(15)30-6-2-3-7-30)19-4-5-20(26)21(27)11-19/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,32)
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31n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298937
PNG
(CHEMBL575395 | N-Cyclopentyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 |(13.91,-22.91,;14.79,-21.64,;16.32,-21.61,;16.76,-20.13,;15.5,-19.26,;15.46,-17.72,;14.28,-20.19,;12.8,-19.75,;12.29,-18.29,;13.16,-17.03,;10.75,-18.33,;10.31,-19.81,;11.57,-20.69,;11.61,-22.23,;10.3,-23.03,;10.34,-24.57,;11.69,-25.3,;11.72,-26.85,;13,-24.5,;14.35,-25.24,;12.96,-22.97,;9.81,-17.11,;10.4,-15.69,;8.29,-17.31,;7.35,-16.09,;5.81,-16.13,;5.3,-14.67,;6.52,-13.74,;7.79,-14.61,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-16-6-4-5-7-16)26-28(22)17-10-11-18(23)19(24)12-17/h8-12,16H,4-7H2,1-3H3,(H,25,29)
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36n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332893
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C |(14.88,-7.03,;14.36,-8.48,;12.9,-8.91,;12.84,-10.43,;14.29,-10.96,;14.71,-12.45,;15.24,-9.76,;16.78,-9.82,;17.32,-8.39,;16.49,-7.08,;18.84,-8.46,;19.26,-9.93,;17.98,-10.79,;17.98,-12.33,;16.65,-13.11,;16.65,-14.65,;17.98,-15.42,;17.98,-16.96,;19.32,-14.65,;19.31,-13.1,;20.66,-12.32,;19.67,-7.14,;18.95,-5.79,;21.21,-7.19,;21.93,-8.55,;23.47,-8.6,;24.2,-9.95,;23.39,-11.26,;25.74,-10,;24.74,-11.39,)|
Show InChI InChI=1S/C23H28Cl2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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37.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298917
PNG
(CHEMBL574036 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1Cl |(30.24,-27.27,;29.77,-25.8,;30.67,-24.56,;29.77,-23.31,;28.3,-23.78,;27.06,-22.88,;28.3,-25.32,;27.06,-26.23,;25.59,-25.75,;25.12,-24.3,;24.68,-27.01,;25.59,-28.25,;27.06,-27.77,;28.3,-28.68,;29.71,-28.05,;30.95,-28.96,;30.79,-30.49,;32.03,-31.39,;29.38,-31.11,;28.14,-30.21,;26.74,-30.83,;23.14,-27.01,;22.37,-25.68,;22.37,-28.33,;20.83,-28.33,;20.06,-29.66,;18.52,-29.66,;17.75,-28.33,;16.21,-28.33,;15.44,-29.66,;13.9,-29.66,;16.21,-31,;17.75,-31,;18.52,-32.34,)|
Show InChI InChI=1S/C25H22Cl2F2N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-8-19(28)13-21(22)29)24(34)30-11-10-17-6-7-18(26)12-20(17)27/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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41n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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45.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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47.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298945
PNG
(CHEMBL577165 | N-Cyclopentyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-14-6-2-3-7-14)24-26(20(13)25-10-4-5-11-25)15-8-9-16(21)17(22)12-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,23,27)
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50n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298920
PNG
(CHEMBL574046 | N-[2-(4-Chlorophenyl)ethyl]1-(2,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1 |(8.06,-15.47,;7.59,-14,;8.49,-12.76,;7.59,-11.51,;6.13,-11.99,;4.88,-11.08,;6.13,-13.53,;4.88,-14.43,;3.41,-13.96,;2.94,-12.49,;2.5,-15.21,;3.41,-16.45,;4.88,-15.97,;6.13,-16.88,;7.53,-16.25,;8.77,-17.15,;8.61,-18.69,;9.86,-19.6,;7.2,-19.32,;5.96,-18.41,;4.56,-19.03,;.96,-15.21,;.19,-13.87,;.19,-16.54,;-1.35,-16.54,;-2.12,-17.87,;-3.66,-17.87,;-4.43,-19.2,;-5.97,-19.2,;-6.74,-17.87,;-8.28,-17.87,;-5.97,-16.54,;-4.43,-16.54,)|
Show InChI InChI=1S/C25H23ClF2N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)22-11-10-20(27)14-21(22)28)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)
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50n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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52.4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298919
PNG
(CHEMBL574971 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)c(Cl)c1 |(30.25,-15.79,;29.78,-14.32,;30.68,-13.07,;29.78,-11.83,;28.32,-12.31,;27.07,-11.4,;28.32,-13.84,;27.07,-14.75,;25.61,-14.27,;25.13,-12.81,;24.7,-15.52,;25.61,-16.77,;27.07,-16.29,;28.32,-17.19,;29.72,-16.57,;30.96,-17.47,;30.81,-19,;32.05,-19.9,;29.4,-19.63,;28.15,-18.72,;26.75,-19.34,;23.16,-15.52,;22.39,-14.18,;22.39,-16.84,;20.86,-16.84,;20.09,-18.18,;18.55,-18.18,;17.78,-16.84,;16.24,-16.84,;15.47,-18.18,;13.93,-18.18,;16.24,-19.51,;15.47,-20.85,;17.78,-19.51,)|
Show InChI InChI=1S/C25H22Cl2F2N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-7-18(28)13-21(22)29)24(34)30-11-10-17-6-8-19(26)20(27)12-17/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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54n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298922
PNG
(CHEMBL574499 | N-(4-Chlorobenzyl)1-(2,4-difluoroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)cc1 |(9.22,-.5,;8.9,-2.01,;7.49,-2.63,;7.65,-4.17,;9.16,-4.49,;9.79,-5.89,;9.92,-3.15,;11.46,-2.99,;12.49,-4.14,;12.18,-5.64,;13.9,-3.52,;13.74,-1.98,;12.24,-1.65,;11.6,-.24,;10.07,-.08,;9.44,1.33,;10.35,2.57,;9.73,3.97,;11.89,2.41,;12.51,1,;14.05,.84,;15.24,-4.28,;15.24,-5.82,;16.58,-3.52,;17.91,-4.28,;19.24,-3.52,;19.24,-1.97,;20.58,-1.2,;21.91,-1.97,;23.25,-1.2,;21.91,-3.52,;20.58,-4.28,)|
Show InChI InChI=1S/C24H21ClF2N4O/c1-14-4-5-15(2)30(14)24-16(3)22(23(32)28-13-17-6-8-18(25)9-7-17)29-31(24)21-11-10-19(26)12-20(21)27/h4-12H,13H2,1-3H3,(H,28,32)
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56n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298915
PNG
(CHEMBL572860 | N-Cycloheptyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCCCC1 |(27.65,-39.95,;27.02,-38.54,;27.79,-37.22,;26.76,-36.06,;25.36,-36.7,;24.02,-35.93,;25.51,-38.22,;24.37,-39.25,;22.87,-38.93,;22.24,-37.52,;22.1,-40.27,;23.12,-41.41,;24.53,-40.79,;25.87,-41.56,;27.19,-40.79,;28.53,-41.56,;28.53,-43.1,;29.87,-43.87,;27.19,-43.87,;25.87,-43.1,;24.53,-43.87,;20.56,-40.43,;19.66,-39.19,;19.94,-41.84,;18.38,-42.01,;17.88,-43.44,;16.43,-43.94,;15.13,-43.11,;14.97,-41.59,;16.06,-40.5,;17.61,-40.68,)|
Show InChI InChI=1S/C24H28F2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
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56n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298949
PNG
(CHEMBL574052 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 |(18.91,-23.05,;19.79,-21.79,;21.33,-21.77,;21.79,-20.29,;20.53,-19.41,;20.5,-17.87,;19.3,-20.33,;17.83,-19.88,;17.33,-18.43,;18.22,-17.16,;15.79,-18.45,;15.34,-19.92,;16.59,-20.8,;16.62,-22.34,;17.96,-23.1,;17.98,-24.63,;16.66,-25.42,;16.69,-26.96,;15.32,-24.67,;15.3,-23.13,;13.95,-22.38,;14.87,-17.22,;15.47,-15.8,;13.34,-17.4,;12.39,-16.16,;10.91,-16.47,;9.74,-15.47,;9.78,-13.94,;11.01,-13.02,;12.5,-13.39,;13.15,-14.81,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
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56n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298947
PNG
(CHEMBL575193 | N-(4-Chlorobenzyl)1-(3,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H17Cl3N4O/c1-14-20(21(30)26-13-15-4-6-16(23)7-5-15)27-29(22(14)28-10-2-3-11-28)17-8-9-18(24)19(25)12-17/h2-12H,13H2,1H3,(H,26,30)
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70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298963
PNG
(CHEMBL576366 | N-[2-(4-Chlorophenyl)ethyl]1-(2,4-d...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C23H19Cl3N4O/c1-15-21(22(31)27-11-10-16-4-6-17(24)7-5-16)28-30(23(15)29-12-2-3-13-29)20-9-8-18(25)14-19(20)26/h2-9,12-14H,10-11H2,1H3,(H,27,31)
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70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298934
PNG
(CHEMBL574270 | N-[1-(1-Phenyl)ethyl]1-(3,4-dichlor...)
Show SMILES CC(NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)c1ccccc1 |(8.9,-29.05,;8.35,-30.49,;9.32,-31.69,;10.84,-31.44,;11.39,-30,;11.81,-32.64,;11.41,-34.12,;12.71,-34.96,;13.91,-33.99,;13.35,-32.55,;14.19,-31.26,;15.39,-34.39,;15.95,-35.82,;15.11,-37.12,;17.49,-35.75,;17.89,-34.25,;16.59,-33.42,;16.51,-31.88,;12.8,-36.5,;11.5,-37.34,;11.59,-38.88,;12.96,-39.58,;13.05,-41.12,;14.25,-38.74,;15.63,-39.43,;14.17,-37.2,;6.83,-30.74,;5.86,-29.54,;4.34,-29.78,;3.79,-31.22,;4.77,-32.42,;6.28,-32.17,)|
Show InChI InChI=1S/C25H24Cl2N4O/c1-15-10-11-16(2)30(15)25-17(3)23(24(32)28-18(4)19-8-6-5-7-9-19)29-31(25)20-12-13-21(26)22(27)14-20/h5-14,18H,1-4H3,(H,28,32)
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80n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298966
PNG
(CHEMBL572613 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N4O/c1-13-19(20(29)25-16-7-4-14(22)5-8-16)26-28(21(13)27-10-2-3-11-27)18-9-6-15(23)12-17(18)24/h2-12H,1H3,(H,25,29)
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80n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298929
PNG
(CHEMBL575401 | N-[2-(4-Chlorophenyl)ethyl]1-(2,4-d...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClF2N4O/c1-15-21(22(31)27-11-10-16-4-6-17(24)7-5-16)28-30(23(15)29-12-2-3-13-29)20-9-8-18(25)14-19(20)26/h2-9,12-14H,10-11H2,1H3,(H,27,31)
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80n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298949
PNG
(CHEMBL574052 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 |(18.91,-23.05,;19.79,-21.79,;21.33,-21.77,;21.79,-20.29,;20.53,-19.41,;20.5,-17.87,;19.3,-20.33,;17.83,-19.88,;17.33,-18.43,;18.22,-17.16,;15.79,-18.45,;15.34,-19.92,;16.59,-20.8,;16.62,-22.34,;17.96,-23.1,;17.98,-24.63,;16.66,-25.42,;16.69,-26.96,;15.32,-24.67,;15.3,-23.13,;13.95,-22.38,;14.87,-17.22,;15.47,-15.8,;13.34,-17.4,;12.39,-16.16,;10.91,-16.47,;9.74,-15.47,;9.78,-13.94,;11.01,-13.02,;12.5,-13.39,;13.15,-14.81,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-19-8-6-4-5-7-9-19)28-30(24)21-13-12-18(25)14-20(21)26/h10-14,19H,4-9H2,1-3H3,(H,27,31)
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80n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332874
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-pentyl-5-(1H-pyr...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-3-4-5-10-23-19(27)18-14(2)20(25-11-6-7-12-25)26(24-18)17-9-8-15(21)13-16(17)22/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,27)
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81n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298959
PNG
(CHEMBL579247 | N-Cyclopentyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-15-6-2-3-7-15)24-26(20(13)25-10-4-5-11-25)17-9-8-14(21)12-16(17)22/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,27)
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84n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
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