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PubMed code 19595596

Compile data set for download or QSAR
Found 114 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298956
PNG
(CHEMBL572854 | N-(4-Chlorobenzyl)1-(2,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)cc1 |(-2.69,-38.36,;-1.79,-37.11,;-.25,-37.1,;.21,-35.63,;-1.04,-34.73,;-1.06,-33.19,;-2.28,-35.65,;-3.75,-35.18,;-4.24,-33.72,;-3.35,-32.47,;-5.78,-33.73,;-6.24,-35.2,;-4.99,-36.1,;-4.98,-37.64,;-3.64,-38.4,;-3.63,-39.94,;-4.95,-40.72,;-4.94,-42.26,;-6.3,-39.96,;-6.3,-38.42,;-7.65,-37.66,;-6.69,-32.49,;-6.08,-31.08,;-8.23,-32.66,;-9.14,-31.43,;-10.67,-31.6,;-11.29,-33.01,;-12.81,-33.19,;-13.73,-31.95,;-15.27,-32.12,;-13.12,-30.53,;-11.59,-30.36,)|
Show InChI InChI=1S/C24H21Cl3N4O/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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90n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298957
PNG
(CHEMBL576140 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 |(27.87,-23.36,;28.77,-22.11,;30.3,-22.09,;30.77,-20.63,;29.51,-19.74,;29.5,-18.2,;28.28,-20.65,;26.81,-20.18,;26.33,-18.72,;27.23,-17.47,;24.78,-18.74,;24.33,-20.2,;25.58,-21.1,;25.59,-22.64,;26.93,-23.39,;26.94,-24.93,;25.61,-25.72,;25.62,-27.25,;24.28,-24.95,;24.26,-23.41,;22.93,-22.66,;23.88,-17.5,;24.49,-16.09,;22.35,-17.67,;21.43,-16.44,;19.9,-16.61,;18.99,-15.37,;19.61,-13.96,;18.69,-12.72,;21.13,-13.79,;22.04,-15.03,)|
Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
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96n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298918
PNG
(CHEMBL576977 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)cc1Cl |(-8.59,-31.59,;-7.82,-30.25,;-6.28,-30.25,;-5.51,-28.92,;-3.97,-28.92,;-3.19,-30.25,;-1.65,-30.25,;-.89,-28.92,;.65,-28.92,;1.43,-27.59,;.65,-26.26,;2.97,-27.59,;3.87,-28.83,;5.34,-28.36,;5.34,-26.82,;3.87,-26.34,;3.4,-24.88,;6.58,-25.91,;8.05,-26.38,;8.52,-27.86,;8.96,-25.14,;8.05,-23.9,;6.58,-24.37,;5.34,-23.47,;6.58,-29.26,;7.99,-28.64,;9.24,-29.54,;9.08,-31.07,;10.32,-31.97,;7.67,-31.7,;6.42,-30.8,;5.02,-31.42,;-3.97,-31.59,;-5.51,-31.59,;-6.28,-32.92,)|
Show InChI InChI=1S/C26H25ClF2N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(28)14-21(22)29)25(34)30-12-11-18-7-10-23(35-4)20(27)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
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99n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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100n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298939
PNG
(CHEMBL577361 | N-(4-Chlorobenzyl)1-(3,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)cc1 |(29.87,-5.25,;30.78,-4.01,;32.32,-4,;32.79,-2.54,;31.55,-1.64,;31.54,-.09,;30.3,-2.54,;28.84,-2.07,;28.36,-.6,;29.26,.64,;26.82,-.6,;26.34,-2.07,;27.59,-2.97,;27.59,-4.51,;26.26,-5.28,;26.25,-6.82,;27.59,-7.59,;27.59,-9.13,;28.92,-6.82,;30.26,-7.59,;28.92,-5.28,;25.91,.65,;26.54,2.06,;24.38,.49,;23.48,1.73,;21.94,1.57,;21.32,.17,;19.79,0,;18.88,1.25,;17.35,1.09,;19.51,2.66,;21.04,2.82,)|
Show InChI InChI=1S/C24H21Cl3N4O/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)19-10-11-20(26)21(27)12-19/h4-12H,13H2,1-3H3,(H,28,32)
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100n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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110n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298952
PNG
(CHEMBL573796 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)cc1Cl |(4.63,4.94,;6.17,5.08,;7.06,3.83,;8.59,3.97,;9.48,2.72,;8.84,1.32,;9.73,.06,;11.27,.21,;12.16,-1.05,;13.69,-.91,;14.33,.49,;14.58,-2.16,;14.08,-3.63,;15.33,-4.55,;16.58,-3.66,;16.12,-2.18,;17.04,-.95,;18.04,-4.15,;18.5,-5.61,;17.57,-6.85,;20.04,-5.63,;20.53,-4.17,;19.3,-3.25,;19.31,-1.72,;15.31,-6.08,;16.63,-6.87,;16.61,-8.41,;15.27,-9.16,;15.26,-10.7,;13.95,-8.38,;13.96,-6.84,;12.64,-6.06,;7.31,1.17,;6.41,2.43,;4.88,2.28,)|
Show InChI InChI=1S/C26H25Cl3N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(27)14-20(22)28)25(34)30-12-11-18-7-10-23(35-4)21(29)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
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112n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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112n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298953
PNG
(CHEMBL574032 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)c(Cl)c1 |(4.67,-7.31,;5.6,-6.07,;7.14,-6.08,;7.62,-4.62,;6.38,-3.7,;6.39,-2.16,;5.13,-4.6,;3.67,-4.11,;3.2,-2.64,;4.11,-1.4,;1.65,-2.62,;1.17,-4.09,;2.41,-5.01,;2.4,-6.55,;3.73,-7.34,;3.72,-8.88,;2.38,-9.64,;2.37,-11.18,;1.05,-8.86,;1.06,-7.32,;-.27,-6.53,;.76,-1.37,;1.39,.03,;-.78,-1.52,;-1.68,-.27,;-3.21,-.41,;-4.11,.84,;-3.48,2.24,;-4.38,3.49,;-5.91,3.35,;-6.8,4.6,;-6.55,1.94,;-8.08,1.79,;-5.65,.69,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-7-18(26)13-21(22)29)24(34)30-11-10-17-6-8-19(27)20(28)12-17/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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117n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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120n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298965
PNG
(CHEMBL574722 | N-(4-Chlorobenzyl)1-(2,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)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)19-9-8-17(24)12-18(19)25/h2-12H,13H2,1H3,(H,26,30)
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140n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298955
PNG
(CHEMBL574965 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC |(3.97,-30.56,;5.5,-30.4,;6.4,-31.64,;7.94,-31.48,;8.84,-32.73,;10.37,-32.56,;11.28,-33.81,;12.81,-33.65,;13.43,-32.24,;13.72,-34.89,;13.24,-36.36,;14.49,-37.27,;15.74,-36.36,;15.26,-34.9,;16.16,-33.65,;17.19,-36.83,;17.67,-38.3,;17.12,-39.54,;19.21,-38.3,;19.69,-36.83,;18.44,-35.93,;18.44,-34.39,;14.49,-38.81,;15.82,-39.58,;15.82,-41.12,;14.49,-41.88,;14.49,-43.43,;13.16,-41.12,;13.15,-39.58,;11.82,-38.81,;8.21,-34.13,;9.12,-35.38,;6.69,-34.3,;6.06,-35.7,;4.53,-35.86,;5.78,-33.05,;4.24,-33.21,;3.34,-31.97,)|
Show InChI InChI=1S/C27H27BrCl2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)
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144n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298950
PNG
(CHEMBL573805 | N-Cyclopentyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 |(2.54,-22.1,;3.41,-20.83,;4.95,-20.79,;5.39,-19.32,;4.12,-18.45,;4.08,-16.91,;2.9,-19.38,;1.43,-18.95,;.91,-17.5,;1.79,-16.22,;-.63,-17.54,;-1.07,-19.01,;.2,-19.88,;.24,-21.42,;1.6,-22.16,;1.63,-23.7,;.32,-24.5,;.36,-26.04,;-1.03,-23.77,;-1.07,-22.23,;-2.42,-21.49,;-1.56,-16.31,;-.98,-14.89,;-3.09,-16.52,;-4.03,-15.29,;-5.57,-15.33,;-6.08,-13.88,;-4.86,-12.94,;-3.59,-13.82,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-17-6-4-5-7-17)26-28(22)19-11-10-16(23)12-18(19)24/h8-12,17H,4-7H2,1-3H3,(H,25,29)
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150n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298951
PNG
(CHEMBL577791 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1Cl |(32.09,-6.72,;33.01,-5.47,;34.55,-5.47,;35.02,-4,;33.77,-3.09,;33.76,-1.54,;32.52,-4,;31.05,-3.52,;30.58,-2.06,;31.48,-.81,;29.03,-2.06,;28.56,-3.54,;29.8,-4.43,;29.81,-5.98,;31.15,-6.76,;31.15,-8.3,;29.82,-9.07,;29.82,-10.61,;28.48,-8.3,;28.48,-6.76,;27.14,-5.99,;28.12,-.82,;28.74,.59,;26.58,-.98,;25.67,.26,;24.14,.1,;23.23,1.35,;23.86,2.76,;22.94,4,;21.41,3.84,;20.5,5.09,;20.79,2.42,;21.69,1.18,;21.07,-.23,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-8-19(27)13-21(22)29)24(34)30-11-10-17-6-7-18(26)12-20(17)28/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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156n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298962
PNG
(CHEMBL574031 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl4N4O/c1-14-21(22(32)28-9-8-15-4-6-17(25)18(26)12-15)29-31(23(14)30-10-2-3-11-30)20-7-5-16(24)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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157n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298921
PNG
(CHEMBL574970 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC |(44.41,-4.05,;43.07,-4.82,;41.74,-4.05,;40.4,-4.82,;39.07,-4.05,;37.73,-4.82,;36.4,-4.05,;35.07,-4.82,;35.07,-6.36,;33.73,-4.05,;33.57,-2.51,;32.07,-2.19,;31.3,-3.53,;32.32,-4.67,;32.01,-6.18,;29.76,-3.69,;28.73,-2.54,;29.05,-1.04,;27.32,-3.17,;27.49,-4.7,;28.99,-5.02,;29.62,-6.43,;31.44,-.78,;29.9,-.62,;29.28,.78,;30.19,2.03,;29.56,3.43,;31.72,1.87,;32.34,.46,;33.88,.3,;39.07,-2.51,;37.73,-1.74,;40.4,-1.74,;40.4,-.2,;41.74,.57,;41.74,-2.51,;43.07,-1.74,;44.41,-2.51,)|
Show InChI InChI=1S/C27H27BrF2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)
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165n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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170n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298924
PNG
(CHEMBL572620 | N-Cycloheptyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24F2N4O/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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200n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298960
PNG
(CHEMBL575178 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl4N4O/c1-14-21(22(32)28-9-8-15-4-5-16(24)12-18(15)26)29-31(23(14)30-10-2-3-11-30)20-7-6-17(25)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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218n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298964
PNG
(CHEMBL574959 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC
Show InChI InChI=1S/C25H23BrCl2N4O4/c1-14-21(24(33)29-13-15-11-19(34-2)22(35-3)23(36-4)20(15)26)30-32(25(14)31-9-5-6-10-31)18-8-7-16(27)12-17(18)28/h5-12H,13H2,1-4H3,(H,29,33)
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227n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298946
PNG
(CHEMBL575186 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)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)18-8-9-19(25)20(26)14-18/h2-9,12-14H,10-11H2,1H3,(H,27,31)
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240n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298950
PNG
(CHEMBL573805 | N-Cyclopentyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 |(2.54,-22.1,;3.41,-20.83,;4.95,-20.79,;5.39,-19.32,;4.12,-18.45,;4.08,-16.91,;2.9,-19.38,;1.43,-18.95,;.91,-17.5,;1.79,-16.22,;-.63,-17.54,;-1.07,-19.01,;.2,-19.88,;.24,-21.42,;1.6,-22.16,;1.63,-23.7,;.32,-24.5,;.36,-26.04,;-1.03,-23.77,;-1.07,-22.23,;-2.42,-21.49,;-1.56,-16.31,;-.98,-14.89,;-3.09,-16.52,;-4.03,-15.29,;-5.57,-15.33,;-6.08,-13.88,;-4.86,-12.94,;-3.59,-13.82,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-17-6-4-5-7-17)26-28(22)19-11-10-16(23)12-18(19)24/h8-12,17H,4-7H2,1-3H3,(H,25,29)
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310n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298928
PNG
(CHEMBL575163 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl2F2N4O/c1-14-21(22(32)28-9-8-15-4-6-17(24)18(25)12-15)29-31(23(14)30-10-2-3-11-30)20-7-5-16(26)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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310n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298931
PNG
(CHEMBL574053 | N-(4-Chlorobenzyl)1-(2,4-difluoroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClF2N4O/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)19-9-8-17(24)12-18(19)25/h2-12H,13H2,1H3,(H,26,30)
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340n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298930
PNG
(CHEMBL573098 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(F)cc2F)c(Br)c(OC)c1OC
Show InChI InChI=1S/C25H23BrF2N4O4/c1-14-21(24(33)29-13-15-11-19(34-2)22(35-3)23(36-4)20(15)26)30-32(25(14)31-9-5-6-10-31)18-8-7-16(27)12-17(18)28/h5-12H,13H2,1-4H3,(H,29,33)
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345n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298961
PNG
(CHEMBL578003 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N4O2/c1-15-22(23(32)28-10-9-16-5-8-21(33-2)19(27)13-16)29-31(24(15)30-11-3-4-12-30)20-7-6-17(25)14-18(20)26/h3-8,11-14H,9-10H2,1-2H3,(H,28,32)
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368n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298921
PNG
(CHEMBL574970 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC |(44.41,-4.05,;43.07,-4.82,;41.74,-4.05,;40.4,-4.82,;39.07,-4.05,;37.73,-4.82,;36.4,-4.05,;35.07,-4.82,;35.07,-6.36,;33.73,-4.05,;33.57,-2.51,;32.07,-2.19,;31.3,-3.53,;32.32,-4.67,;32.01,-6.18,;29.76,-3.69,;28.73,-2.54,;29.05,-1.04,;27.32,-3.17,;27.49,-4.7,;28.99,-5.02,;29.62,-6.43,;31.44,-.78,;29.9,-.62,;29.28,.78,;30.19,2.03,;29.56,3.43,;31.72,1.87,;32.34,.46,;33.88,.3,;39.07,-2.51,;37.73,-1.74,;40.4,-1.74,;40.4,-.2,;41.74,.57,;41.74,-2.51,;43.07,-1.74,;44.41,-2.51,)|
Show InChI InChI=1S/C27H27BrF2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)
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373n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298926
PNG
(CHEMBL585177 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2F2N4O/c1-14-21(22(32)28-9-8-15-4-5-16(24)12-18(15)25)29-31(23(14)30-10-2-3-11-30)20-7-6-17(26)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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380n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298938
PNG
(CHEMBL574045 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 |(1.82,-24.7,;2.72,-23.45,;4.25,-23.43,;4.73,-21.97,;3.47,-21.07,;3.46,-19.53,;2.23,-21.99,;.76,-21.52,;.28,-20.06,;1.17,-18.81,;-1.27,-20.07,;-1.73,-21.54,;-.48,-22.43,;-.46,-23.98,;-1.79,-24.75,;-1.78,-26.29,;-.44,-27.06,;-.43,-28.59,;.89,-26.27,;2.23,-27.04,;.88,-24.73,;-2.18,-18.83,;-1.56,-17.42,;-3.71,-19,;-4.62,-17.76,;-6.15,-17.94,;-7.07,-16.7,;-8.6,-16.87,;-9.52,-15.63,;-8.9,-14.22,;-9.81,-12.98,;-7.37,-14.05,;-6.45,-15.29,)|
Show InChI InChI=1S/C25H23Cl3N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)20-10-11-21(27)22(28)14-20)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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390n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298955
PNG
(CHEMBL574965 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC |(3.97,-30.56,;5.5,-30.4,;6.4,-31.64,;7.94,-31.48,;8.84,-32.73,;10.37,-32.56,;11.28,-33.81,;12.81,-33.65,;13.43,-32.24,;13.72,-34.89,;13.24,-36.36,;14.49,-37.27,;15.74,-36.36,;15.26,-34.9,;16.16,-33.65,;17.19,-36.83,;17.67,-38.3,;17.12,-39.54,;19.21,-38.3,;19.69,-36.83,;18.44,-35.93,;18.44,-34.39,;14.49,-38.81,;15.82,-39.58,;15.82,-41.12,;14.49,-41.88,;14.49,-43.43,;13.16,-41.12,;13.15,-39.58,;11.82,-38.81,;8.21,-34.13,;9.12,-35.38,;6.69,-34.3,;6.06,-35.7,;4.53,-35.86,;5.78,-33.05,;4.24,-33.21,;3.34,-31.97,)|
Show InChI InChI=1S/C27H27BrCl2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)
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553n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298923
PNG
(CHEMBL573099 | N-(4-Chlorophenyl)1-(2,4-difluoroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1 |(3.04,-1.34,;2.57,.12,;3.47,1.36,;2.57,2.61,;1.1,2.13,;-.14,3.04,;1.1,.59,;-.14,-.31,;-1.61,.17,;-2.08,1.63,;-2.51,-1.08,;-1.61,-2.32,;-.14,-1.85,;1.1,-2.76,;2.51,-2.13,;3.76,-3.03,;3.6,-4.57,;4.84,-5.47,;2.19,-5.19,;.94,-4.28,;-.47,-4.91,;-4.05,-1.08,;-4.82,.25,;-4.82,-2.42,;-6.36,-2.42,;-7.13,-3.75,;-8.67,-3.75,;-9.44,-2.42,;-10.98,-2.42,;-8.67,-1.08,;-7.13,-1.08,)|
Show InChI InChI=1S/C23H19ClF2N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
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560n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298924
PNG
(CHEMBL572620 | N-Cycloheptyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24F2N4O/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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560n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298964
PNG
(CHEMBL574959 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(Cl)cc2Cl)c(Br)c(OC)c1OC
Show InChI InChI=1S/C25H23BrCl2N4O4/c1-14-21(24(33)29-13-15-11-19(34-2)22(35-3)23(36-4)20(15)26)30-32(25(14)31-9-5-6-10-31)18-8-7-16(27)12-17(18)28/h5-12H,13H2,1-4H3,(H,29,33)
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609n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298926
PNG
(CHEMBL585177 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl2F2N4O/c1-14-21(22(32)28-9-8-15-4-5-16(24)12-18(15)25)29-31(23(14)30-10-2-3-11-30)20-7-6-17(26)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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667n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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721n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298930
PNG
(CHEMBL573098 | N-(2-Bromo-3,4,5-trimethoxybenzyl)1...)
Show SMILES COc1cc(CNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(F)cc2F)c(Br)c(OC)c1OC
Show InChI InChI=1S/C25H23BrF2N4O4/c1-14-21(24(33)29-13-15-11-19(34-2)22(35-3)23(36-4)20(15)26)30-32(25(14)31-9-5-6-10-31)18-8-7-16(27)12-17(18)28/h5-12H,13H2,1-4H3,(H,29,33)
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739n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298939
PNG
(CHEMBL577361 | N-(4-Chlorobenzyl)1-(3,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)cc1 |(29.87,-5.25,;30.78,-4.01,;32.32,-4,;32.79,-2.54,;31.55,-1.64,;31.54,-.09,;30.3,-2.54,;28.84,-2.07,;28.36,-.6,;29.26,.64,;26.82,-.6,;26.34,-2.07,;27.59,-2.97,;27.59,-4.51,;26.26,-5.28,;26.25,-6.82,;27.59,-7.59,;27.59,-9.13,;28.92,-6.82,;30.26,-7.59,;28.92,-5.28,;25.91,.65,;26.54,2.06,;24.38,.49,;23.48,1.73,;21.94,1.57,;21.32,.17,;19.79,0,;18.88,1.25,;17.35,1.09,;19.51,2.66,;21.04,2.82,)|
Show InChI InChI=1S/C24H21Cl3N4O/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)19-10-11-20(26)21(27)12-19/h4-12H,13H2,1-3H3,(H,28,32)
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790n/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
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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790n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298948
PNG
(CHEMBL574740 | N-(4-Chlorophenyl)1-(3,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N4O/c1-13-19(20(29)25-15-6-4-14(22)5-7-15)26-28(21(13)27-10-2-3-11-27)16-8-9-17(23)18(24)12-16/h2-12H,1H3,(H,25,29)
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790n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298916
PNG
(CHEMBL576142 | N-Cyclopentyl-1-(2,4-sifluorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCC1 |(6.63,-39.3,;5.93,-37.93,;6.62,-36.55,;5.53,-35.47,;4.16,-36.17,;2.79,-35.47,;4.41,-37.69,;3.32,-38.78,;1.8,-38.53,;1.09,-37.16,;1.09,-39.91,;2.19,-41,;3.56,-40.31,;4.93,-40.99,;6.23,-40.15,;7.6,-40.86,;7.68,-42.4,;9.05,-43.09,;6.39,-43.23,;5.01,-42.54,;3.72,-43.38,;-.43,-40.15,;-1.39,-38.96,;-.98,-41.59,;-2.5,-41.84,;-3.19,-43.2,;-4.71,-42.97,;-4.96,-41.45,;-3.59,-40.75,)|
Show InChI InChI=1S/C22H24F2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-17-6-4-5-7-17)26-28(22)19-11-10-16(23)12-18(19)24/h8-12,17H,4-7H2,1-3H3,(H,25,29)
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840n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298916
PNG
(CHEMBL576142 | N-Cyclopentyl-1-(2,4-sifluorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCC1 |(6.63,-39.3,;5.93,-37.93,;6.62,-36.55,;5.53,-35.47,;4.16,-36.17,;2.79,-35.47,;4.41,-37.69,;3.32,-38.78,;1.8,-38.53,;1.09,-37.16,;1.09,-39.91,;2.19,-41,;3.56,-40.31,;4.93,-40.99,;6.23,-40.15,;7.6,-40.86,;7.68,-42.4,;9.05,-43.09,;6.39,-43.23,;5.01,-42.54,;3.72,-43.38,;-.43,-40.15,;-1.39,-38.96,;-.98,-41.59,;-2.5,-41.84,;-3.19,-43.2,;-4.71,-42.97,;-4.96,-41.45,;-3.59,-40.75,)|
Show InChI InChI=1S/C22H24F2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-17-6-4-5-7-17)26-28(22)19-11-10-16(23)12-18(19)24/h8-12,17H,4-7H2,1-3H3,(H,25,29)
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900n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298965
PNG
(CHEMBL574722 | N-(4-Chlorobenzyl)1-(2,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)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)19-9-8-17(24)12-18(19)25/h2-12H,13H2,1H3,(H,26,30)
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940n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298927
PNG
(CHEMBL575164 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(F)cc2F)cc1Cl
Show InChI InChI=1S/C24H21ClF2N4O2/c1-15-22(23(32)28-10-9-16-5-8-21(33-2)18(25)13-16)29-31(24(15)30-11-3-4-12-30)20-7-6-17(26)14-19(20)27/h3-8,11-14H,9-10H2,1-2H3,(H,28,32)
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948n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298925
PNG
(CHEMBL573087 | N-Cyclopentyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H20F2N4O/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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1.10E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298946
PNG
(CHEMBL575186 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)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)18-8-9-19(25)20(26)14-18/h2-9,12-14H,10-11H2,1H3,(H,27,31)
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1.20E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298928
PNG
(CHEMBL575163 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl2F2N4O/c1-14-21(22(32)28-9-8-15-4-6-17(24)18(25)12-15)29-31(23(14)30-10-2-3-11-30)20-7-5-16(26)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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1.29E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298948
PNG
(CHEMBL574740 | N-(4-Chlorophenyl)1-(3,4-dichloroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N4O/c1-13-19(20(29)25-15-6-4-14(22)5-7-15)26-28(21(13)27-10-2-3-11-27)16-8-9-17(23)18(24)12-16/h2-12H,1H3,(H,25,29)
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1.30E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298927
PNG
(CHEMBL575164 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(F)cc2F)cc1Cl
Show InChI InChI=1S/C24H21ClF2N4O2/c1-15-22(23(32)28-10-9-16-5-8-21(33-2)18(25)13-16)29-31(24(15)30-11-3-4-12-30)20-7-6-17(26)14-19(20)27/h3-8,11-14H,9-10H2,1-2H3,(H,28,32)
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1.95E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298932
PNG
(CHEMBL575396 | N-(4-Chlorophenyl)1-(2,4-difluoroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClF2N4O/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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2.10E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298925
PNG
(CHEMBL573087 | N-Cyclopentyl-1-(2,4-difluorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H20F2N4O/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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2.40E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298940
PNG
(CHEMBL573086 | N-(4-Chlorophenyl)1-(3,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 |(14.86,-7.25,;15.77,-6,;17.3,-6.01,;17.78,-4.54,;16.53,-3.64,;16.53,-2.1,;15.29,-4.54,;13.82,-4.06,;13.36,-2.6,;14.26,-1.35,;11.81,-2.6,;11.34,-4.06,;12.58,-4.97,;12.58,-6.51,;11.25,-7.28,;11.24,-8.82,;12.58,-9.59,;12.57,-11.12,;13.91,-8.81,;15.24,-9.59,;13.92,-7.28,;10.91,-1.35,;11.54,.06,;9.37,-1.51,;8.47,-.27,;6.94,-.42,;6.04,.82,;6.66,2.22,;5.76,3.47,;8.2,2.39,;9.1,1.14,)|
Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-17-8-6-16(24)7-9-17)28-30(23)18-10-11-19(25)20(26)12-18/h4-12H,1-3H3,(H,27,31)
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>2.82E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298933
PNG
(CHEMBL574279 | N-(4-Chlorobenzhydryl)1-(3,4-dichlo...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1 |(33.1,-39.67,;33.94,-38.37,;35.47,-38.3,;35.87,-36.8,;34.58,-35.97,;34.49,-34.43,;33.38,-36.94,;31.89,-36.55,;31.34,-35.1,;32.18,-33.81,;29.8,-35.19,;29.4,-36.68,;30.7,-37.52,;30.78,-39.05,;29.49,-39.9,;29.57,-41.43,;30.95,-42.13,;31.03,-43.67,;32.23,-41.29,;33.61,-41.99,;32.16,-39.75,;28.83,-33.99,;29.38,-32.55,;27.31,-34.24,;26.33,-33.04,;26.88,-31.6,;28.4,-31.36,;28.95,-29.92,;27.98,-28.73,;26.45,-28.98,;25.91,-30.42,;24.81,-33.29,;23.84,-32.09,;22.32,-32.34,;21.77,-33.78,;20.25,-34.02,;22.75,-34.98,;24.27,-34.73,)|
Show InChI InChI=1S/C30H25Cl3N4O/c1-18-9-10-19(2)36(18)30-20(3)27(35-37(30)24-15-16-25(32)26(33)17-24)29(38)34-28(21-7-5-4-6-8-21)22-11-13-23(31)14-12-22/h4-17,28H,1-3H3,(H,34,38)
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>2.82E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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>2.82E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298961
PNG
(CHEMBL578003 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2cccc2)-c2ccc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N4O2/c1-15-22(23(32)28-10-9-16-5-8-21(33-2)19(27)13-16)29-31(24(15)30-11-3-4-12-30)20-7-6-17(25)14-18(20)26/h3-8,11-14H,9-10H2,1-2H3,(H,28,32)
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2.89E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298931
PNG
(CHEMBL574053 | N-(4-Chlorobenzyl)1-(2,4-difluoroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClF2N4O/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)19-9-8-17(24)12-18(19)25/h2-12H,13H2,1H3,(H,26,30)
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3.40E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298952
PNG
(CHEMBL573796 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(Cl)cc2Cl)cc1Cl |(4.63,4.94,;6.17,5.08,;7.06,3.83,;8.59,3.97,;9.48,2.72,;8.84,1.32,;9.73,.06,;11.27,.21,;12.16,-1.05,;13.69,-.91,;14.33,.49,;14.58,-2.16,;14.08,-3.63,;15.33,-4.55,;16.58,-3.66,;16.12,-2.18,;17.04,-.95,;18.04,-4.15,;18.5,-5.61,;17.57,-6.85,;20.04,-5.63,;20.53,-4.17,;19.3,-3.25,;19.31,-1.72,;15.31,-6.08,;16.63,-6.87,;16.61,-8.41,;15.27,-9.16,;15.26,-10.7,;13.95,-8.38,;13.96,-6.84,;12.64,-6.06,;7.31,1.17,;6.41,2.43,;4.88,2.28,)|
Show InChI InChI=1S/C26H25Cl3N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(27)14-20(22)28)25(34)30-12-11-18-7-10-23(35-4)21(29)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
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3.48E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298951
PNG
(CHEMBL577791 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1Cl |(32.09,-6.72,;33.01,-5.47,;34.55,-5.47,;35.02,-4,;33.77,-3.09,;33.76,-1.54,;32.52,-4,;31.05,-3.52,;30.58,-2.06,;31.48,-.81,;29.03,-2.06,;28.56,-3.54,;29.8,-4.43,;29.81,-5.98,;31.15,-6.76,;31.15,-8.3,;29.82,-9.07,;29.82,-10.61,;28.48,-8.3,;28.48,-6.76,;27.14,-5.99,;28.12,-.82,;28.74,.59,;26.58,-.98,;25.67,.26,;24.14,.1,;23.23,1.35,;23.86,2.76,;22.94,4,;21.41,3.84,;20.5,5.09,;20.79,2.42,;21.69,1.18,;21.07,-.23,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-8-19(27)13-21(22)29)24(34)30-11-10-17-6-7-18(26)12-20(17)28/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298956
PNG
(CHEMBL572854 | N-(4-Chlorobenzyl)1-(2,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)cc1 |(-2.69,-38.36,;-1.79,-37.11,;-.25,-37.1,;.21,-35.63,;-1.04,-34.73,;-1.06,-33.19,;-2.28,-35.65,;-3.75,-35.18,;-4.24,-33.72,;-3.35,-32.47,;-5.78,-33.73,;-6.24,-35.2,;-4.99,-36.1,;-4.98,-37.64,;-3.64,-38.4,;-3.63,-39.94,;-4.95,-40.72,;-4.94,-42.26,;-6.3,-39.96,;-6.3,-38.42,;-7.65,-37.66,;-6.69,-32.49,;-6.08,-31.08,;-8.23,-32.66,;-9.14,-31.43,;-10.67,-31.6,;-11.29,-33.01,;-12.81,-33.19,;-13.73,-31.95,;-15.27,-32.12,;-13.12,-30.53,;-11.59,-30.36,)|
Show InChI InChI=1S/C24H21Cl3N4O/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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298918
PNG
(CHEMBL576977 | N-[2-(3-Chloro-4-methoxyphenyl)ethy...)
Show SMILES COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)cc1Cl |(-8.59,-31.59,;-7.82,-30.25,;-6.28,-30.25,;-5.51,-28.92,;-3.97,-28.92,;-3.19,-30.25,;-1.65,-30.25,;-.89,-28.92,;.65,-28.92,;1.43,-27.59,;.65,-26.26,;2.97,-27.59,;3.87,-28.83,;5.34,-28.36,;5.34,-26.82,;3.87,-26.34,;3.4,-24.88,;6.58,-25.91,;8.05,-26.38,;8.52,-27.86,;8.96,-25.14,;8.05,-23.9,;6.58,-24.37,;5.34,-23.47,;6.58,-29.26,;7.99,-28.64,;9.24,-29.54,;9.08,-31.07,;10.32,-31.97,;7.67,-31.7,;6.42,-30.8,;5.02,-31.42,;-3.97,-31.59,;-5.51,-31.59,;-6.28,-32.92,)|
Show InChI InChI=1S/C26H25ClF2N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(28)14-21(22)29)25(34)30-12-11-18-7-10-23(35-4)20(27)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298932
PNG
(CHEMBL575396 | N-(4-Chlorophenyl)1-(2,4-difluoroph...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClF2N4O/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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298953
PNG
(CHEMBL574032 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)c(Cl)c1 |(4.67,-7.31,;5.6,-6.07,;7.14,-6.08,;7.62,-4.62,;6.38,-3.7,;6.39,-2.16,;5.13,-4.6,;3.67,-4.11,;3.2,-2.64,;4.11,-1.4,;1.65,-2.62,;1.17,-4.09,;2.41,-5.01,;2.4,-6.55,;3.73,-7.34,;3.72,-8.88,;2.38,-9.64,;2.37,-11.18,;1.05,-8.86,;1.06,-7.32,;-.27,-6.53,;.76,-1.37,;1.39,.03,;-.78,-1.52,;-1.68,-.27,;-3.21,-.41,;-4.11,.84,;-3.48,2.24,;-4.38,3.49,;-5.91,3.35,;-6.8,4.6,;-6.55,1.94,;-8.08,1.79,;-5.65,.69,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-14-4-5-15(2)32(14)25-16(3)23(31-33(25)22-9-7-18(26)13-21(22)29)24(34)30-11-10-17-6-8-19(27)20(28)12-17/h4-9,12-13H,10-11H2,1-3H3,(H,30,34)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298957
PNG
(CHEMBL576140 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 |(27.87,-23.36,;28.77,-22.11,;30.3,-22.09,;30.77,-20.63,;29.51,-19.74,;29.5,-18.2,;28.28,-20.65,;26.81,-20.18,;26.33,-18.72,;27.23,-17.47,;24.78,-18.74,;24.33,-20.2,;25.58,-21.1,;25.59,-22.64,;26.93,-23.39,;26.94,-24.93,;25.61,-25.72,;25.62,-27.25,;24.28,-24.95,;24.26,-23.41,;22.93,-22.66,;23.88,-17.5,;24.49,-16.09,;22.35,-17.67,;21.43,-16.44,;19.9,-16.61,;18.99,-15.37,;19.61,-13.96,;18.69,-12.72,;21.13,-13.79,;22.04,-15.03,)|
Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298933
PNG
(CHEMBL574279 | N-(4-Chlorobenzhydryl)1-(3,4-dichlo...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1 |(33.1,-39.67,;33.94,-38.37,;35.47,-38.3,;35.87,-36.8,;34.58,-35.97,;34.49,-34.43,;33.38,-36.94,;31.89,-36.55,;31.34,-35.1,;32.18,-33.81,;29.8,-35.19,;29.4,-36.68,;30.7,-37.52,;30.78,-39.05,;29.49,-39.9,;29.57,-41.43,;30.95,-42.13,;31.03,-43.67,;32.23,-41.29,;33.61,-41.99,;32.16,-39.75,;28.83,-33.99,;29.38,-32.55,;27.31,-34.24,;26.33,-33.04,;26.88,-31.6,;28.4,-31.36,;28.95,-29.92,;27.98,-28.73,;26.45,-28.98,;25.91,-30.42,;24.81,-33.29,;23.84,-32.09,;22.32,-32.34,;21.77,-33.78,;20.25,-34.02,;22.75,-34.98,;24.27,-34.73,)|
Show InChI InChI=1S/C30H25Cl3N4O/c1-18-9-10-19(2)36(18)30-20(3)27(35-37(30)24-15-16-25(32)26(33)17-24)29(38)34-28(21-7-5-4-6-8-21)22-11-13-23(31)14-12-22/h4-17,28H,1-3H3,(H,34,38)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298960
PNG
(CHEMBL575178 | N-[2-(2,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H18Cl4N4O/c1-14-21(22(32)28-9-8-15-4-5-16(24)12-18(15)26)29-31(23(14)30-10-2-3-11-30)20-7-6-17(25)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298938
PNG
(CHEMBL574045 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 |(1.82,-24.7,;2.72,-23.45,;4.25,-23.43,;4.73,-21.97,;3.47,-21.07,;3.46,-19.53,;2.23,-21.99,;.76,-21.52,;.28,-20.06,;1.17,-18.81,;-1.27,-20.07,;-1.73,-21.54,;-.48,-22.43,;-.46,-23.98,;-1.79,-24.75,;-1.78,-26.29,;-.44,-27.06,;-.43,-28.59,;.89,-26.27,;2.23,-27.04,;.88,-24.73,;-2.18,-18.83,;-1.56,-17.42,;-3.71,-19,;-4.62,-17.76,;-6.15,-17.94,;-7.07,-16.7,;-8.6,-16.87,;-9.52,-15.63,;-8.9,-14.22,;-9.81,-12.98,;-7.37,-14.05,;-6.45,-15.29,)|
Show InChI InChI=1S/C25H23Cl3N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)20-10-11-21(27)22(28)14-20)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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298923
PNG
(CHEMBL573099 | N-(4-Chlorophenyl)1-(2,4-difluoroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1 |(3.04,-1.34,;2.57,.12,;3.47,1.36,;2.57,2.61,;1.1,2.13,;-.14,3.04,;1.1,.59,;-.14,-.31,;-1.61,.17,;-2.08,1.63,;-2.51,-1.08,;-1.61,-2.32,;-.14,-1.85,;1.1,-2.76,;2.51,-2.13,;3.76,-3.03,;3.6,-4.57,;4.84,-5.47,;2.19,-5.19,;.94,-4.28,;-.47,-4.91,;-4.05,-1.08,;-4.82,.25,;-4.82,-2.42,;-6.36,-2.42,;-7.13,-3.75,;-8.67,-3.75,;-9.44,-2.42,;-10.98,-2.42,;-8.67,-1.08,;-7.13,-1.08,)|
Show InChI InChI=1S/C23H19ClF2N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298962
PNG
(CHEMBL574031 | N-[2-(3,4-Dichlorophenyl)ethyl]1-(2...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl4N4O/c1-14-21(22(32)28-9-8-15-4-6-17(25)18(26)12-15)29-31(23(14)30-10-2-3-11-30)20-7-5-16(24)13-19(20)27/h2-7,10-13H,8-9H2,1H3,(H,28,32)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298940
PNG
(CHEMBL573086 | N-(4-Chlorophenyl)1-(3,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 |(14.86,-7.25,;15.77,-6,;17.3,-6.01,;17.78,-4.54,;16.53,-3.64,;16.53,-2.1,;15.29,-4.54,;13.82,-4.06,;13.36,-2.6,;14.26,-1.35,;11.81,-2.6,;11.34,-4.06,;12.58,-4.97,;12.58,-6.51,;11.25,-7.28,;11.24,-8.82,;12.58,-9.59,;12.57,-11.12,;13.91,-8.81,;15.24,-9.59,;13.92,-7.28,;10.91,-1.35,;11.54,.06,;9.37,-1.51,;8.47,-.27,;6.94,-.42,;6.04,.82,;6.66,2.22,;5.76,3.47,;8.2,2.39,;9.1,1.14,)|
Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-17-8-6-16(24)7-9-17)28-30(23)18-10-11-19(25)20(26)12-18/h4-12H,1-3H3,(H,27,31)
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>3.94E+3n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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>3.94E+3n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%