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PubMed code 26209834

Compile data set for download or QSAR
Found 46 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))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in CHO cell membranes by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116907
PNG
(CHEMBL3613097)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@@H]2C(C)(C)C3CC[C@@]2(C)C3)cc1 |r|
Show InChI InChI=1/C30H35ClN2O/c1-19-6-8-21(9-7-19)17-33-18-23(15-26(33)22-10-11-25(31)20(2)14-22)27(34)32-28-29(3,4)24-12-13-30(28,5)16-24/h6-11,14-15,18,24,28H,12-13,16-17H2,1-5H3,(H,32,34)/t24?,28-,30+/s2
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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50117098
PNG
(CHEMBL3613117)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@@H]2CC3CC[C@@]2(C)C3(C)C)cc1 |r|
Show InChI InChI=1/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)16-24(32-33)27(34)31-26-15-22-12-13-29(26,5)28(22,3)4/h6-11,14,16,22,26H,12-13,15,17H2,1-5H3,(H,31,34)/t22?,26-,29-/s2
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7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50117099
PNG
(CHEMBL3613118 | US9365534, HU-308)
Show SMILES [H][C@@]12C[C@@]([H])(C(CO)=C[C@H]1c1c(OC)cc(cc1OC)C(C)(C)CCCCCC)C2(C)C |r,c:7,TLB:10:9:29:2,THB:6:5:29:2|
Show InChI InChI=1/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/s2
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116909
PNG
(CHEMBL3613101)
Show SMILES [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,THB:7:6:2:32|
Show InChI InChI=1/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/s2
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116972
PNG
(CHEMBL3613108)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C25H27ClN2O/c1-18-6-8-20(9-7-18)16-28-17-22(25(29)27-12-4-3-5-13-27)15-24(28)21-10-11-23(26)19(2)14-21/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3
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106n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116908
PNG
(CHEMBL3613099)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@@H]2CC3CC[C@@]2(C)C3(C)C)cc1 |r|
Show InChI InChI=1/C30H35ClN2O/c1-19-6-8-21(9-7-19)17-33-18-23(15-26(33)22-10-11-25(31)20(2)14-22)28(34)32-27-16-24-12-13-30(27,5)29(24,3)4/h6-11,14-15,18,24,27H,12-13,16-17H2,1-5H3,(H,32,34)/t24?,27-,30-/s2
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164n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116969
PNG
(CHEMBL3613107)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C26H29ClN2O/c1-18-8-10-20(11-9-18)16-29-17-22(26(30)28-23-6-4-3-5-7-23)15-25(29)21-12-13-24(27)19(2)14-21/h8-15,17,23H,3-7,16H2,1-2H3,(H,28,30)
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244n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50117092
PNG
(CHEMBL3613116)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)c3Cc4c(ccc(Cl)c4C)-c23)cc1 |r|
Show InChI InChI=1/C31H35ClN2O/c1-18-6-8-20(9-7-18)16-34-17-25(24-14-23-19(2)26(32)11-10-22(23)27(24)34)28(35)33-29-30(3,4)21-12-13-31(29,5)15-21/h6-11,17,21,29H,12-16H2,1-5H3,(H,33,35)/t21?,29-,31+/s2
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343n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50117095
PNG
(CHEMBL3613098)
Show SMILES Cc1ccc(Cn2cc(CN[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1 |r|
Show InChI InChI=1/C30H37ClN2/c1-20-6-8-22(9-7-20)18-33-19-23(15-27(33)24-10-11-26(31)21(2)14-24)17-32-28-29(3,4)25-12-13-30(28,5)16-25/h6-11,14-15,19,25,28,32H,12-13,16-18H2,1-5H3/t25?,28-,30+/s2
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343n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116908
PNG
(CHEMBL3613099)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@@H]2CC3CC[C@@]2(C)C3(C)C)cc1 |r|
Show InChI InChI=1/C30H35ClN2O/c1-19-6-8-21(9-7-19)17-33-18-23(15-26(33)22-10-11-25(31)20(2)14-22)28(34)32-27-16-24-12-13-30(27,5)29(24,3)4/h6-11,14-15,18,24,27H,12-13,16-17H2,1-5H3,(H,32,34)/t24?,27-,30-/s2
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368n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in CHO cell membranes by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50117097
PNG
(CHEMBL3613106)
Show SMILES C[C@H](NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1)C1CCCCC1 |r|
Show InChI InChI=1/C28H33ClN2O/c1-19-9-11-22(12-10-19)17-31-18-25(16-27(31)24-13-14-26(29)20(2)15-24)28(32)30-21(3)23-7-5-4-6-8-23/h9-16,18,21,23H,4-8,17H2,1-3H3,(H,30,32)/t21-/s2
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492n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116989
PNG
(CHEMBL3613112)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCCCC2)cc1
Show InChI InChI=1S/C26H30ClN3O/c1-19-7-9-21(10-8-19)17-29-18-23(26(31)28-30-13-5-3-4-6-14-30)16-25(29)22-11-12-24(27)20(2)15-22/h7-12,15-16,18H,3-6,13-14,17H2,1-2H3,(H,28,31)
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575n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116912
PNG
(CHEMBL3613104)
Show SMILES CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1 |r|
Show InChI InChI=1/C30H37ClN2O/c1-19(2)26-12-8-21(4)14-28(26)32-30(34)25-16-29(24-11-13-27(31)22(5)15-24)33(18-25)17-23-9-6-20(3)7-10-23/h6-7,9-11,13,15-16,18-19,21,26,28H,8,12,14,17H2,1-5H3,(H,32,34)/t21-,26+,28-/s2
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116907
PNG
(CHEMBL3613097)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@@H]2C(C)(C)C3CC[C@@]2(C)C3)cc1 |r|
Show InChI InChI=1/C30H35ClN2O/c1-19-6-8-21(9-7-19)17-33-18-23(15-26(33)22-10-11-25(31)20(2)14-22)27(34)32-28-29(3,4)24-12-13-30(28,5)16-24/h6-11,14-15,18,24,28H,12-13,16-17H2,1-5H3,(H,32,34)/t24?,28-,30+/s2
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1.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116984
PNG
(CHEMBL3613109)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N2CCN(CC2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C30H29Cl2N3O/c1-21-7-9-23(10-8-21)19-35-20-25(18-29(35)24-11-12-26(31)22(2)17-24)30(36)34-15-13-33(14-16-34)28-6-4-3-5-27(28)32/h3-12,17-18,20H,13-16,19H2,1-2H3
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1.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116972
PNG
(CHEMBL3613108)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C25H27ClN2O/c1-18-6-8-20(9-7-18)16-28-17-22(25(29)27-12-4-3-5-13-27)15-24(28)21-10-11-23(26)19(2)14-21/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3
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3.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116969
PNG
(CHEMBL3613107)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C26H29ClN2O/c1-18-8-10-20(11-9-18)16-29-17-22(26(30)28-23-6-4-3-5-7-23)15-25(29)21-12-13-24(27)19(2)14-21/h8-15,17,23H,3-7,16H2,1-2H3,(H,28,30)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116911
PNG
(CHEMBL3613103)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:25:32:29.31.28,30:29:32:24.25.26,THB:28:27:24:30.29.31,28:29:24:32.26.27|
Show InChI InChI=1S/C31H35ClN2O/c1-20-3-5-22(6-4-20)17-34-18-27(13-29(34)26-7-8-28(32)21(2)9-26)30(35)33-19-31-14-23-10-24(15-31)12-25(11-23)16-31/h3-9,13,18,23-25H,10-12,14-17,19H2,1-2H3,(H,33,35)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116987
PNG
(CHEMBL3613111)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCCC2)cc1
Show InChI InChI=1S/C25H28ClN3O/c1-18-6-8-20(9-7-18)16-28-17-22(25(30)27-29-12-4-3-5-13-29)15-24(28)21-10-11-23(26)19(2)14-21/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3,(H,27,30)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116995
PNG
(CHEMBL3613115)
Show SMILES Cc1ccc(Cn2cc(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C30H30Cl3N3/c1-21-3-5-23(6-4-21)19-36-20-24(16-30(36)25-7-9-27(31)22(2)15-25)18-34-11-13-35(14-12-34)26-8-10-28(32)29(33)17-26/h3-10,15-17,20H,11-14,18-19H2,1-2H3
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116994
PNG
(CHEMBL3613114)
Show SMILES Cc1ccc(Cn2cc(CN3CCN(CC3)c3ccc(Cl)cc3)cc2-c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C30H31Cl2N3/c1-22-3-5-24(6-4-22)20-35-21-25(18-30(35)26-7-12-29(32)23(2)17-26)19-33-13-15-34(16-14-33)28-10-8-27(31)9-11-28/h3-12,17-18,21H,13-16,19-20H2,1-2H3
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116910
PNG
(CHEMBL3613102)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:24:31:28.30.27,29:28:31:23.24.25,THB:27:26:23:29.28.30,27:28:23:31.25.26|
Show InChI InChI=1S/C30H33ClN2O/c1-19-3-5-21(6-4-19)17-33-18-26(13-28(33)25-7-8-27(31)20(2)9-25)29(34)32-30-14-22-10-23(15-30)12-24(11-22)16-30/h3-9,13,18,22-24H,10-12,14-17H2,1-2H3,(H,32,34)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116912
PNG
(CHEMBL3613104)
Show SMILES CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1 |r|
Show InChI InChI=1/C30H37ClN2O/c1-19(2)26-12-8-21(4)14-28(26)32-30(34)25-16-29(24-11-13-27(31)22(5)15-24)33(18-25)17-23-9-6-20(3)7-10-23/h6-7,9-11,13,15-16,18-19,21,26,28H,8,12,14,17H2,1-5H3,(H,32,34)/t21-,26+,28-/s2
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116942
PNG
(CHEMBL3613105)
Show SMILES C[C@@H](NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1)C1CCCCC1 |r|
Show InChI InChI=1/C28H33ClN2O/c1-19-9-11-22(12-10-19)17-31-18-25(16-27(31)24-13-14-26(29)20(2)15-24)28(32)30-21(3)23-7-5-4-6-8-23/h9-16,18,21,23H,4-8,17H2,1-3H3,(H,30,32)/t21-/s2
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116987
PNG
(CHEMBL3613111)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCCC2)cc1
Show InChI InChI=1S/C25H28ClN3O/c1-18-6-8-20(9-7-18)16-28-17-22(25(30)27-29-12-4-3-5-13-29)15-24(28)21-10-11-23(26)19(2)14-21/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3,(H,27,30)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116984
PNG
(CHEMBL3613109)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N2CCN(CC2)c2ccccc2Cl)cc1
Show InChI InChI=1S/C30H29Cl2N3O/c1-21-7-9-23(10-8-21)19-35-20-25(18-29(35)24-11-12-26(31)22(2)17-24)30(36)34-15-13-33(14-16-34)28-6-4-3-5-27(28)32/h3-12,17-18,20H,13-16,19H2,1-2H3
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116910
PNG
(CHEMBL3613102)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:24:31:28.30.27,29:28:31:23.24.25,THB:27:26:23:29.28.30,27:28:23:31.25.26|
Show InChI InChI=1S/C30H33ClN2O/c1-19-3-5-21(6-4-19)17-33-18-26(13-28(33)25-7-8-27(31)20(2)9-25)29(34)32-30-14-22-10-23(15-30)12-24(11-22)16-30/h3-9,13,18,22-24H,10-12,14-17H2,1-2H3,(H,32,34)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116991
PNG
(CHEMBL3613113)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H25ClN2O/c1-20-10-12-22(13-11-20)18-33-19-25(17-29(33)24-14-15-27(31)21(2)16-24)30(34)32-28-9-5-7-23-6-3-4-8-26(23)28/h3-17,19H,18H2,1-2H3,(H,32,34)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116909
PNG
(CHEMBL3613101)
Show SMILES [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,THB:7:6:2:32|
Show InChI InChI=1/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/s2
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116985
PNG
(CHEMBL3613110)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCC2)cc1
Show InChI InChI=1S/C24H26ClN3O/c1-17-5-7-19(8-6-17)15-27-16-21(24(29)26-28-11-3-4-12-28)14-23(27)20-9-10-22(25)18(2)13-20/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,26,29)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116995
PNG
(CHEMBL3613115)
Show SMILES Cc1ccc(Cn2cc(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C30H30Cl3N3/c1-21-3-5-23(6-4-21)19-36-20-24(16-30(36)25-7-9-27(31)22(2)15-25)18-34-11-13-35(14-12-34)26-8-10-28(32)29(33)17-26/h3-10,15-17,20H,11-14,18-19H2,1-2H3
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50117092
PNG
(CHEMBL3613116)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@@]3(C)C4)c3Cc4c(ccc(Cl)c4C)-c23)cc1 |r|
Show InChI InChI=1/C31H35ClN2O/c1-18-6-8-20(9-7-18)16-34-17-25(24-14-23-19(2)26(32)11-10-22(23)27(24)34)28(35)33-29-30(3,4)21-12-13-31(29,5)15-21/h6-11,17,21,29H,12-16H2,1-5H3,(H,33,35)/t21?,29-,31+/s2
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116991
PNG
(CHEMBL3613113)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H25ClN2O/c1-20-10-12-22(13-11-20)18-33-19-25(17-29(33)24-14-15-27(31)21(2)16-24)30(34)32-28-9-5-7-23-6-3-4-8-26(23)28/h3-17,19H,18H2,1-2H3,(H,32,34)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116911
PNG
(CHEMBL3613103)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:25:32:29.31.28,30:29:32:24.25.26,THB:28:27:24:30.29.31,28:29:24:32.26.27|
Show InChI InChI=1S/C31H35ClN2O/c1-20-3-5-22(6-4-20)17-34-18-27(13-29(34)26-7-8-28(32)21(2)9-26)30(35)33-19-31-14-23-10-24(15-31)12-25(11-23)16-31/h3-9,13,18,23-25H,10-12,14-17,19H2,1-2H3,(H,33,35)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116985
PNG
(CHEMBL3613110)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCC2)cc1
Show InChI InChI=1S/C24H26ClN3O/c1-17-5-7-19(8-6-17)15-27-16-21(24(29)26-28-11-3-4-12-28)14-23(27)20-9-10-22(25)18(2)13-20/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,26,29)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116989
PNG
(CHEMBL3613112)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCCCC2)cc1
Show InChI InChI=1S/C26H30ClN3O/c1-19-7-9-21(10-8-19)17-29-18-23(26(31)28-30-13-5-3-4-6-14-30)16-25(29)22-11-12-24(27)20(2)15-22/h7-12,15-16,18H,3-6,13-14,17H2,1-2H3,(H,28,31)
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116994
PNG
(CHEMBL3613114)
Show SMILES Cc1ccc(Cn2cc(CN3CCN(CC3)c3ccc(Cl)cc3)cc2-c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C30H31Cl2N3/c1-22-3-5-24(6-4-22)20-35-21-25(18-30(35)26-7-12-29(32)23(2)17-26)19-33-13-15-34(16-14-33)28-10-8-27(31)9-11-28/h3-12,17-18,21H,13-16,19-20H2,1-2H3
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116942
PNG
(CHEMBL3613105)
Show SMILES C[C@@H](NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1)C1CCCCC1 |r|
Show InChI InChI=1/C28H33ClN2O/c1-19-9-11-22(12-10-19)17-31-18-25(16-27(31)24-13-14-26(29)20(2)15-24)28(32)30-21(3)23-7-5-4-6-8-23/h9-16,18,21,23H,4-8,17H2,1-3H3,(H,30,32)/t21-/s2
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Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50117096
PNG
(CHEMBL3613100)
Show SMILES [H][C@]12C[C@]([H])([C@@H](C)[C@@H](C1)NC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r|
Show InChI InChI=1/C30H35ClN2O/c1-18-6-8-21(9-7-18)16-33-17-23(13-28(33)22-10-11-26(31)19(2)12-22)29(34)32-27-15-24-14-25(20(27)3)30(24,4)5/h6-13,17,20,24-25,27H,14-16H2,1-5H3,(H,32,34)/t20-,24+,25-,27-/s2
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116907
PNG
(CHEMBL3613097)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@@H]2C(C)(C)C3CC[C@@]2(C)C3)cc1 |r|
Show InChI InChI=1/C30H35ClN2O/c1-19-6-8-21(9-7-19)17-33-18-23(15-26(33)22-10-11-25(31)20(2)14-22)27(34)32-28-29(3,4)24-12-13-30(28,5)16-24/h6-11,14-15,18,24,28H,12-13,16-17H2,1-5H3,(H,32,34)/t24?,28-,30+/s2
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n/an/a 171n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptor transfected in Chem4 cell membranes after 30 mins by [35S]-GTPgammaS binding assay


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116909
PNG
(CHEMBL3613101)
Show SMILES [H][C@]12CC(CC[C@H]1CNC(=O)c1cc(-c3ccc(Cl)c(C)c3)n(Cc3ccc(C)cc3)c1)C2(C)C |r,THB:7:6:2:32|
Show InChI InChI=1/C30H35ClN2O/c1-19-5-7-21(8-6-19)17-33-18-24(14-28(33)22-10-12-27(31)20(2)13-22)29(34)32-16-23-9-11-25-15-26(23)30(25,3)4/h5-8,10,12-14,18,23,25-26H,9,11,15-17H2,1-4H3,(H,32,34)/t23-,25?,26-/s2
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n/an/a 1.82E+3n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptor transfected in Chem4 cell membranes after 30 mins by [35S]-GTPgammaS binding assay


Eur J Med Chem 101: 651-67 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%