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Compile Data Set for Download or QSAR

Found 549 hits with Last Name = 'morales' and Initial = 'p'   
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 1


(Mus musculus (Mouse))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50459322
PNG
(CHEMBL4215369)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C24H39NO/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-24(26)25-23-20-21-23/h7-10,14-15,17-18,22-23H,3-6,11-13,16,19-21H2,1-2H3,(H,25,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50459318
PNG
(CHEMBL4208217)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/[C@H](C)\C=C/CCCC(=O)NCCO |r|
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-14-17-22(2)18-15-13-16-19-23(26)24-20-21-25/h7-8,10-11,14-15,17-18,22,25H,3-6,9,12-13,16,19-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,17-14-,18-15-/t22-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.80n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in CD1 mouse brain membranes after 60 mins by liquid scintillation counting method


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
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 1


(Rattus norvegicus (rat))
BDBM50459315
PNG
(CHEMBL4213566)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/[C@H](C)\C=C/CCCC(=O)N[C@H](C)CO |r|
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18-22(2)19-16-14-17-20-24(27)25-23(3)21-26/h8-9,11-12,15-16,18-19,22-23,26H,4-7,10,13-14,17,20-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,18-15-,19-16-/t22-,23+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
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 1


(Mus musculus (Mouse))
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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2.80n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
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))
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))
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 1


(Mus musculus (Mouse))
BDBM50193284
PNG
(CHEMBL3978981)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCCc1cc(Cl)ccc-31)-c1ccc(Cl)cc1Cl)CC2
Show InChI InChI=1S/C29H30Cl3N3O/c1-29(2)18-7-6-17(23(29)13-18)15-33-28(36)26-22-5-3-4-16-12-19(30)8-10-21(16)27(22)35(34-26)25-11-9-20(31)14-24(25)32/h8-12,14,17-18,23H,3-7,13,15H2,1-2H3,(H,33,36)
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3.60n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
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



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 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



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))
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



Instituto de Qu£mica M£dica

Curated by ChEMBL


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


Eur J Med Chem 70: 111-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.043
BindingDB Entry DOI: 10.7270/Q2P84FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50459324
PNG
(CHEMBL4206580)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl |r|
Show InChI InChI=1S/C23H38ClNO/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-23(26)25-21-20-24/h7-10,14-15,17-18,22H,3-6,11-13,16,19-21H2,1-2H3,(H,25,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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4.20n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50459322
PNG
(CHEMBL4215369)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C24H39NO/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-24(26)25-23-20-21-23/h7-10,14-15,17-18,22-23H,3-6,11-13,16,19-21H2,1-2H3,(H,25,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes in absence of FAAH inhibitor PMSF by radioligand binding ass...


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50459323
PNG
(CHEMBL4218304)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NCC#C |r|
Show InChI InChI=1S/C24H37NO/c1-4-6-7-13-16-19-23(3)20-17-14-11-9-8-10-12-15-18-21-24(26)25-22-5-2/h2,9-12,16-17,19-20,23H,4,6-8,13-15,18,21-22H2,1,3H3,(H,25,26)/b11-9-,12-10-,19-16-,20-17-/t23-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
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 1


(Mus musculus (Mouse))
BDBM50176980
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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4.5n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50459315
PNG
(CHEMBL4213566)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/[C@H](C)\C=C/CCCC(=O)N[C@H](C)CO |r|
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18-22(2)19-16-14-17-20-24(27)25-23(3)21-26/h8-9,11-12,15-16,18-19,22-23,26H,4-7,10,13-14,17,20-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,18-15-,19-16-/t22-,23+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
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 1


(Rattus norvegicus (rat))
BDBM50459319
PNG
(CHEMBL4216075)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NCCO |r|
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-23(26)24-20-21-25/h7-10,14-15,17-18,22,25H,3-6,11-13,16,19-21H2,1-2H3,(H,24,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
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))
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))
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 1


(Rattus norvegicus (rat))
BDBM50459327
PNG
(CHEMBL4213900)
Show SMILES C[C@@H](\C=C/CCCCCN=[N+]=[N-])\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C24H38N4O/c1-22(17-13-9-7-11-15-21-26-28-25)16-12-8-5-3-2-4-6-10-14-18-24(29)27-23-19-20-23/h3-6,12-13,16-17,22-23H,2,7-11,14-15,18-21H2,1H3,(H,27,29)/b5-3-,6-4-,16-12-,17-13-/t22-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50459329
PNG
(CHEMBL4206063)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NC1CCC1 |r|
Show InChI InChI=1S/C25H41NO/c1-3-4-5-11-14-18-23(2)19-15-12-9-7-6-8-10-13-16-22-25(27)26-24-20-17-21-24/h7-10,14-15,18-19,23-24H,3-6,11-13,16-17,20-22H2,1-2H3,(H,26,27)/b9-7-,10-8-,18-14-,19-15-/t23-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes in absence of FAAH inhibitor PMSF by radioligand binding ass...


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
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


(MOUSE)
BDBM50459318
PNG
(CHEMBL4208217)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/[C@H](C)\C=C/CCCC(=O)NCCO |r|
Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-14-17-22(2)18-15-13-16-19-23(26)24-20-21-25/h7-8,10-11,14-15,17-18,22,25H,3-6,9,12-13,16,19-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,17-14-,18-15-/t22-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes in absence of FAAH inhibitor PMSF by radioligand binding ass...


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
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 1


(Rattus norvegicus (rat))
BDBM50459314
PNG
(CHEMBL4208628)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r|
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absence of FAAH inhibitor PMSF by radioligand binding assay


J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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8.18n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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8.20n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry


Eur J Med Chem 121: 194-208 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.011
BindingDB Entry DOI: 10.7270/Q2PR7XXB
More data for this
Ligand-Target Pair
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