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Compile Data Set for Download or QSAR

Found 440 hits with Last Name = 'pazos' and Initial = 'r'   
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)


Article DOI: 10.1016/j.ejmech.2015.06.057
BindingDB Entry DOI: 10.7270/Q2KP83ZM
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)


Article DOI: 10.1016/j.ejmech.2015.06.057
BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232938
PNG
(CHEMBL4088509)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:4.7,1.0,(53.55,-14.07,;52.76,-15.39,;53.52,-16.73,;52.74,-18.05,;51.2,-18.03,;50.43,-16.7,;51.22,-15.38,;50.42,-19.36,;48.88,-19.35,;48.12,-18.01,;48.1,-20.68,;46.55,-20.66,;45.78,-21.99,;46.55,-23.33,;48.08,-23.34,;48.84,-24.68,;48.06,-26.01,;46.52,-26,;45.74,-27.32,;46.5,-28.66,;45.72,-29.99,;48.05,-28.67,;48.82,-27.34,;48.86,-22.02,;50.4,-22.03,;44.25,-21.99,;43.48,-20.64,;41.94,-20.64,;41.16,-21.97,;39.62,-21.96,;41.93,-23.31,;41.15,-24.64,;43.47,-23.32,)|
Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21+
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2n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232930
PNG
(CHEMBL4067246)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1cc(nn(Cc3ccc(F)cc3)c1=O)-c1ccc(Cl)c(C)c1)C2(C)C |r|
Show InChI InChI=1S/C29H31ClFN3O2/c1-17-13-19(7-10-23(17)30)24-14-22(26(36)34(33-24)16-18-5-8-21(31)9-6-18)25(35)32-27-28(2,3)20-11-12-29(27,4)15-20/h5-10,13-14,20,27H,11-12,15-16H2,1-4H3,(H,32,35)/t20-,27-,29+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometric method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometric method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232931
PNG
(CHEMBL4091845)
Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(Cc2ccc(F)cc2)n1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C29H29ClFN3O2/c1-17-8-22(4-7-25(17)30)26-12-24(28(36)34(33-26)16-18-2-5-23(31)6-3-18)27(35)32-29-13-19-9-20(14-29)11-21(10-19)15-29/h2-8,12,19-21H,9-11,13-16H2,1H3,(H,32,35)
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3.40n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532455
PNG
(CHEMBL4557358)
Show SMILES CCCCCCC(C)(C)c1cc(OCCO)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27-12-11-26)20-19(14-16)28-23(4,5)17-15-24-25-21(17)20/h13-15,26H,6-12H2,1-5H3,(H,24,25)
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3.60n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532455
PNG
(CHEMBL4557358)
Show SMILES CCCCCCC(C)(C)c1cc(OCCO)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27-12-11-26)20-19(14-16)28-23(4,5)17-15-24-25-21(17)20/h13-15,26H,6-12H2,1-5H3,(H,24,25)
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3.60n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
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



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP,55-940 from recombinant human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by microbeta scintillation co...


Bioorg Med Chem 26: 295-307 (2018)


Article DOI: 10.1016/j.bmc.2017.11.051
BindingDB Entry DOI: 10.7270/Q2280B6T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.ejmech.2015.06.057
BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152111
PNG
(CHEMBL3781178)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2Cc3cc(ccc3-c12)C1CC1 |TLB:21:16:23:19.20.22,21:20:23:17.16.15,THB:19:18:15:21.20.22,19:20:17.18.23:15|
Show InChI InChI=1S/C30H29Cl2N3O/c31-22-4-6-26(25(32)12-22)35-28-23-5-3-20(19-1-2-19)10-21(23)11-24(28)27(34-35)29(36)33-30-13-16-7-17(14-30)9-18(8-16)15-30/h3-6,10,12,16-19H,1-2,7-9,11,13-15H2,(H,33,36)
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4n/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 expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232936
PNG
(CHEMBL4071738)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C26H31N3O2/c30-24(27-26-14-17-10-18(15-26)12-19(11-17)16-26)22-13-23(20-6-2-1-3-7-20)28-29(25(22)31)21-8-4-5-9-21/h1-3,6-7,13,17-19,21H,4-5,8-12,14-16H2,(H,27,30)
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4.40n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532460
PNG
(CHEMBL4441538)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CC)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3
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4.5n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532460
PNG
(CHEMBL4441538)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CC)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3
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4.5n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232941
PNG
(CHEMBL4084087)
Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C25H25ClFN3O2/c1-16-13-18(9-12-22(16)26)23-14-21(24(31)28-20-5-3-2-4-6-20)25(32)30(29-23)15-17-7-10-19(27)11-8-17/h7-14,20H,2-6,15H2,1H3,(H,28,31)
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4.70n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232940
PNG
(CHEMBL4071007)
Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C26H27ClFN3O2/c1-17-14-19(10-13-23(17)27)24-15-22(25(32)29-21-6-4-2-3-5-7-21)26(33)31(30-24)16-18-8-11-20(28)12-9-18/h8-15,21H,2-7,16H2,1H3,(H,29,32)
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4.90n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532476
PNG
(CHEMBL4527391)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32Cl2N2O2/c1-6-7-8-9-12-26(2,3)17-13-22(32)24-23(14-17)33-27(4,5)19-16-30-31(25(19)24)21-11-10-18(28)15-20(21)29/h10-11,13-16,32H,6-9,12H2,1-5H3
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5.20n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532476
PNG
(CHEMBL4527391)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32Cl2N2O2/c1-6-7-8-9-12-26(2,3)17-13-22(32)24-23(14-17)33-27(4,5)19-16-30-31(25(19)24)21-11-10-18(28)15-20(21)29/h10-11,13-16,32H,6-9,12H2,1-5H3
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5.20n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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5.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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5.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232933
PNG
(CHEMBL4094388)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccccc1 |r,wU:4.7,1.0,(18.4,-15.46,;17.62,-16.78,;18.37,-18.12,;17.59,-19.44,;16.06,-19.42,;15.29,-18.09,;16.08,-16.77,;15.27,-20.75,;13.73,-20.74,;12.97,-19.4,;12.95,-22.07,;11.4,-22.05,;10.64,-23.39,;11.39,-24.73,;12.93,-24.74,;13.69,-26.08,;12.91,-27.41,;11.37,-27.39,;10.59,-28.71,;11.35,-30.05,;10.57,-31.38,;12.9,-30.06,;13.67,-28.73,;13.71,-23.41,;15.25,-23.42,;9.1,-23.38,;8.32,-24.71,;6.78,-24.7,;6.02,-23.36,;6.79,-22.03,;8.32,-22.03,)|
Show InChI InChI=1S/C25H26FN3O2/c1-17-7-13-21(14-8-17)27-24(30)22-15-23(19-5-3-2-4-6-19)28-29(25(22)31)16-18-9-11-20(26)12-10-18/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,27,30)/t17-,21+
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5.70n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
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=1S/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+/m1/s1
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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)


Article DOI: 10.1016/j.ejmech.2015.06.057
BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152116
PNG
(CHEMBL3781131)
Show SMILES C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1Cc1cc(ccc-21)C1CC1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H31Cl2N3O/c1-29(2)19-10-11-30(3,15-19)28(29)33-27(36)25-22-13-18-12-17(16-4-5-16)6-8-21(18)26(22)35(34-25)24-9-7-20(31)14-23(24)32/h6-9,12,14,16,19,28H,4-5,10-11,13,15H2,1-3H3,(H,33,36)/t19?,28?,30-/m0/s1
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6n/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 expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
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=1S/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-/m1/s1
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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)


Article DOI: 10.1016/j.ejmech.2015.06.057
BindingDB Entry DOI: 10.7270/Q2KP83ZM
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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7.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
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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7.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232937
PNG
(CHEMBL4086649)
Show SMILES Cc1ccc(cc1Cl)-c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n(n1)C1CCCC1 |THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C27H32ClN3O2/c1-16-6-7-20(11-23(16)28)24-12-22(26(33)31(30-24)21-4-2-3-5-21)25(32)29-27-13-17-8-18(14-27)10-19(9-17)15-27/h6-7,11-12,17-19,21H,2-5,8-10,13-15H2,1H3,(H,29,32)
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7.60n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232929
PNG
(CHEMBL4085733)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn(Cc2ccc(F)cc2)c1=O)-c1ccc(Cl)c(C)c1 |r,wU:1.0,wD:4.7,(52.61,-29.16,;51.83,-30.49,;52.58,-31.83,;51.8,-33.15,;50.26,-33.13,;49.5,-31.8,;50.29,-30.47,;49.48,-34.46,;47.94,-34.45,;47.18,-33.11,;47.16,-35.77,;45.62,-35.76,;44.85,-37.09,;45.61,-38.43,;47.14,-38.44,;47.9,-39.78,;47.12,-41.11,;45.58,-41.09,;44.8,-42.42,;45.56,-43.76,;44.79,-45.09,;47.11,-43.77,;47.89,-42.44,;47.93,-37.11,;49.47,-37.13,;43.31,-37.08,;42.54,-35.74,;41,-35.74,;40.23,-37.06,;38.69,-37.06,;40.99,-38.41,;40.21,-39.74,;42.53,-38.42,)|
Show InChI InChI=1S/C26H27ClFN3O2/c1-16-3-10-21(11-4-16)29-25(32)22-14-24(19-7-12-23(27)17(2)13-19)30-31(26(22)33)15-18-5-8-20(28)9-6-18/h5-9,12-14,16,21H,3-4,10-11,15H2,1-2H3,(H,29,32)/t16-,21-
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9n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399157
PNG
(CHEMBL2179724)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/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-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1S/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-/m1/s1
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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)


Article DOI: 10.1016/j.ejmech.2015.06.057
BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
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13n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232934
PNG
(CHEMBL4098746)
Show SMILES O=C(NC1CCCCCC1)c1cc(nn(C2CCCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H29N3O2/c27-22(24-18-12-6-1-2-7-13-18)20-16-21(17-10-4-3-5-11-17)25-26(23(20)28)19-14-8-9-15-19/h3-5,10-11,16,18-19H,1-2,6-9,12-15H2,(H,24,27)
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13n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
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13n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532467
PNG
(CHEMBL4467761)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32N2O2/c1-7-8-9-10-11-21(2,3)15-12-17(25)19-18(13-15)26-22(4,5)16-14-24(6)23-20(16)19/h12-14,25H,7-11H2,1-6H3
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14n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532467
PNG
(CHEMBL4467761)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32N2O2/c1-7-8-9-10-11-21(2,3)15-12-17(25)19-18(13-15)26-22(4,5)16-14-24(6)23-20(16)19/h12-14,25H,7-11H2,1-6H3
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14n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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15n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50232935
PNG
(CHEMBL4102128)
Show SMILES Fc1ccc(Cn2nc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C25H26FN3O2/c26-20-14-12-18(13-15-20)17-29-25(31)22(16-23(28-29)19-8-4-3-5-9-19)24(30)27-21-10-6-1-2-7-11-21/h3-5,8-9,12-16,21H,1-2,6-7,10-11,17H2,(H,27,30)
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16n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.002
BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532438
PNG
(CHEMBL4441649)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CCO)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-24-25(11-12-26)21(17)20/h13-15,26-27H,6-12H2,1-5H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532479
PNG
(CHEMBL4463214)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-25(8-2)24-21(17)20/h13-15,26H,7-12H2,1-6H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532479
PNG
(CHEMBL4463214)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-25(8-2)24-21(17)20/h13-15,26H,7-12H2,1-6H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532438
PNG
(CHEMBL4441649)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CCO)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-24-25(11-12-26)21(17)20/h13-15,26-27H,6-12H2,1-5H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
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