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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'de martino' 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 1


(Rattus norvegicus (rat))
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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1.23n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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2.75n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
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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5.40n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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18.6n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181460
PNG
(1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-d...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=O)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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243n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50181463
PNG
(1,3-bis(4-chlorophenyl)-5-phenylimidazolidine-2,4-...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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247n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50181460
PNG
(1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-d...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=O)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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311n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181463
PNG
(1,3-bis(4-chlorophenyl)-5-phenylimidazolidine-2,4-...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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353n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181462
PNG
(1,3-bis(3-iodophenyl)-5-phenyl-2-thioxoimidazolidi...)
Show SMILES Oc1c(-c2ccccc2)n(-c2cccc(I)c2)c(=S)n1-c1cccc(I)c1
Show InChI InChI=1S/C21H14I2N2OS/c22-15-8-4-10-17(12-15)24-19(14-6-2-1-3-7-14)20(26)25(21(24)27)18-11-5-9-16(23)13-18/h1-13,26H
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692n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181458
PNG
(5-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazoli...)
Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13BrCl2N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H
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905n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181461
PNG
(1,3-bis(4-bromophenyl)-5-phenyl-2-thioxoimidazolid...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=S)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H14Br2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50181458
PNG
(5-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazoli...)
Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13BrCl2N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H
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1.74E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181459
PNG
(1,3,5-tris(4-chlorophenyl)imidazolidine-2,4-dione ...)
Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H
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1.88E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181466
PNG
(1,3-bis(4,3-dichlorophenyl)-5-phenyl-2-thioxoimida...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)c(=S)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H12Cl4N2OS/c22-15-8-6-13(10-17(15)24)26-19(12-4-2-1-3-5-12)20(28)27(21(26)29)14-7-9-16(23)18(25)11-14/h1-11,28H
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181469
PNG
(1,3-bis(3-chlorophenyl)-5-phenylimidazolidine-2,4-...)
Show SMILES Oc1c(-c2ccccc2)n(-c2cccc(Cl)c2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-8-4-10-17(12-15)24-19(14-6-2-1-3-7-14)20(26)25(21(24)27)18-11-5-9-16(23)13-18/h1-13,26H
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2.11E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181456
PNG
(1,3-bis(4-chlorophenyl)-5-phenyl-2-thioxoimidazoli...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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2.16E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50181459
PNG
(1,3,5-tris(4-chlorophenyl)imidazolidine-2,4-dione ...)
Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H
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2.62E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181455
PNG
(1,3-bis(3-chlorophenyl)-5-(4-chlorophenyl)imidazol...)
Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-9-7-13(8-10-14)19-20(27)26(18-6-2-4-16(24)12-18)21(28)25(19)17-5-1-3-15(23)11-17/h1-12,27H
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3.31E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
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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3.80E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181472
PNG
(5-(4-bromophenyl)-1,3-diphenylimidazolidine-2,4-di...)
Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccccc2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H15BrN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,25H
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4.03E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181470
PNG
(1,3-bis(4-methylphenyl)-5-phenyl-2-thioxoimidazoli...)
Show SMILES Cc1ccc(cc1)-n1c(O)c(-c2ccccc2)n(-c2ccc(C)cc2)c1=S
Show InChI InChI=1S/C23H20N2OS/c1-16-8-12-19(13-9-16)24-21(18-6-4-3-5-7-18)22(26)25(23(24)27)20-14-10-17(2)11-15-20/h3-15,26H,1-2H3
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4.97E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181471
PNG
(1,3,5-triphenylimidazolidine-2,4-dione | CHEMBL381...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c24-20-19(16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)21(25)23(20)18-14-8-3-9-15-18/h1-15,24H
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6.30E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181467
PNG
(5-(4-bromophenyl)-1,3-diphenyl-2-thioxoimidazolidi...)
Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccccc2)c(=S)n1-c1ccccc1
Show InChI InChI=1S/C21H15BrN2OS/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,25H
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6.31E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181468
PNG
(1,3-bis(4-methoxyphenyl)-5-phenylimidazolidine-2,4...)
Show SMILES COc1ccc(cc1)-n1c(O)c(-c2ccccc2)n(-c2ccc(OC)cc2)c1=O
Show InChI InChI=1S/C23H20N2O4/c1-28-19-12-8-17(9-13-19)24-21(16-6-4-3-5-7-16)22(26)25(23(24)27)18-10-14-20(29-2)15-11-18/h3-15,26H,1-2H3
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6.46E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181465
PNG
(5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-d...)
Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccccc2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H15ClN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,25H
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6.66E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181457
PNG
(1,3-bis(4-methoxyphenyl)-5-phenyl-2-thioxoimidazol...)
Show SMILES COc1ccc(cc1)-n1c(O)c(-c2ccccc2)n(-c2ccc(OC)cc2)c1=S
Show InChI InChI=1S/C23H20N2O3S/c1-27-19-12-8-17(9-13-19)24-21(16-6-4-3-5-7-16)22(26)25(23(24)29)18-10-14-20(28-2)15-11-18/h3-15,26H,1-2H3
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7.03E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181464
PNG
(1,3,5-triphenyl-2-thioxoimidazolidin-4-one | CHEMB...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccccc2)c(=S)n1-c1ccccc1
Show InChI InChI=1S/C21H16N2OS/c24-20-19(16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)21(25)23(20)18-14-8-3-9-15-18/h1-15,24H
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>8.00E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
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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n/an/an/an/a 10.1n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181456
PNG
(1,3-bis(4-chlorophenyl)-5-phenyl-2-thioxoimidazoli...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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n/an/an/an/a 2.10E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181463
PNG
(1,3-bis(4-chlorophenyl)-5-phenylimidazolidine-2,4-...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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n/an/an/an/a 309n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181469
PNG
(1,3-bis(3-chlorophenyl)-5-phenylimidazolidine-2,4-...)
Show SMILES Oc1c(-c2ccccc2)n(-c2cccc(Cl)c2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C21H14Cl2N2O2/c22-15-8-4-10-17(12-15)24-19(14-6-2-1-3-7-14)20(26)25(21(24)27)18-11-5-9-16(23)13-18/h1-13,26H
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n/an/an/an/a 936n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181462
PNG
(1,3-bis(3-iodophenyl)-5-phenyl-2-thioxoimidazolidi...)
Show SMILES Oc1c(-c2ccccc2)n(-c2cccc(I)c2)c(=S)n1-c1cccc(I)c1
Show InChI InChI=1S/C21H14I2N2OS/c22-15-8-4-10-17(12-15)24-19(14-6-2-1-3-7-14)20(26)25(21(24)27)18-11-5-9-16(23)13-18/h1-13,26H
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n/an/an/an/a 461n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181461
PNG
(1,3-bis(4-bromophenyl)-5-phenyl-2-thioxoimidazolid...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=S)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H14Br2N2OS/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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n/an/an/an/a 1.62E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181460
PNG
(1,3-bis(4-bromophenyl)-5-phenylimidazolidine-2,4-d...)
Show SMILES Oc1c(-c2ccccc2)n(-c2ccc(Br)cc2)c(=O)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H14Br2N2O2/c22-15-6-10-17(11-7-15)24-19(14-4-2-1-3-5-14)20(26)25(21(24)27)18-12-8-16(23)9-13-18/h1-13,26H
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n/an/an/an/a 195n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181458
PNG
(5-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazoli...)
Show SMILES Oc1c(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13BrCl2N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H
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n/an/an/an/a 1.23E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50181459
PNG
(1,3,5-tris(4-chlorophenyl)imidazolidine-2,4-dione ...)
Show SMILES Oc1c(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13Cl3N2O2/c22-14-3-1-13(2-4-14)19-20(27)26(18-11-7-16(24)8-12-18)21(28)25(19)17-9-5-15(23)6-10-17/h1-12,27H
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n/an/an/an/a 1.12E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay


J Med Chem 49: 872-82 (2006)


Article DOI: 10.1021/jm050484f
BindingDB Entry DOI: 10.7270/Q28916NK
More data for this
Ligand-Target Pair