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PubMed code 16279809

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067498
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1 |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-/m0/s1
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19n/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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177155
PNG
(1-(bis(4-bromophenyl)methyl)-3-(4-bromophenyl)urea...)
Show SMILES Brc1ccc(NC(=O)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H15Br3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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500n/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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177162
PNG
(1-[bis(4-bromophenyl)methyl]-3-(4-chlorophenyl)-ur...)
Show SMILES Clc1ccc(NC(=O)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H15Br2ClN2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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650n/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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177160
PNG
(1-[bis(4-iodophenyl)methyl]-3-(4-bromophenyl)urea ...)
Show SMILES Brc1ccc(NC(=O)NC(c2ccc(I)cc2)c2ccc(I)cc2)cc1
Show InChI InChI=1S/C20H15BrI2N2O/c21-15-5-11-18(12-6-15)24-20(26)25-19(13-1-7-16(22)8-2-13)14-3-9-17(23)10-4-14/h1-12,19H,(H2,24,25,26)
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750n/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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177159
PNG
(1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)- ...)
Show SMILES Clc1ccc(NC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H15Cl3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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1.10E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177163
PNG
(1-(bis(4-chlorophenyl)methyl)-3-(4-bromophenyl)ure...)
Show SMILES Clc1ccc(cc1)C(NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15BrCl2N2O/c21-15-5-11-18(12-6-15)24-20(26)25-19(13-1-7-16(22)8-2-13)14-3-9-17(23)10-4-14/h1-12,19H,(H2,24,25,26)
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1.25E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177164
PNG
(1-[bis(4-bromophenyl)methyl]-3-(4-chlorophenyl)thi...)
Show SMILES Clc1ccc(NC(=S)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H15Br2ClN2S/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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1.50E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177158
PNG
(1-[bis(4-bromophenyl)methyl]-3-phenylthiourea | CH...)
Show SMILES Brc1ccc(cc1)C(NC(=S)Nc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16Br2N2S/c21-16-10-6-14(7-11-16)19(15-8-12-17(22)13-9-15)24-20(25)23-18-4-2-1-3-5-18/h1-13,19H,(H2,23,24,25)
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1.80E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177157
PNG
(1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)th...)
Show SMILES Clc1ccc(NC(=S)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H15Cl3N2S/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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1.90E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177156
PNG
(5,5'-bis(4-bromophenyl)-3-(4-chlorophenyl)-2-thiox...)
Show SMILES Clc1ccc(cc1)N1C(=S)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H13Br2ClN2OS/c22-15-5-1-13(2-6-15)21(14-3-7-16(23)8-4-14)19(27)26(20(28)25-21)18-11-9-17(24)10-12-18/h1-12H,(H,25,28)
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2.75E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177161
PNG
(1-[bis(4-chlorophenyl)methyl]-3-phenylthiourea | C...)
Show SMILES Clc1ccc(cc1)C(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16Cl2N2S/c21-16-10-6-14(7-11-16)19(15-8-12-17(22)13-9-15)24-20(25)23-18-4-2-1-3-5-18/h1-13,19H,(H2,23,24,25)
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2.90E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177167
PNG
(1-(bis(4-bromophenyl)methyl)-3-phenylurea | CHEMBL...)
Show SMILES Brc1ccc(cc1)C(NC(=O)Nc1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C20H16Br2N2O/c21-16-10-6-14(7-11-16)19(15-8-12-17(22)13-9-15)24-20(25)23-18-4-2-1-3-5-18/h1-13,19H,(H2,23,24,25)
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2.90E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177166
PNG
(5,5'-bis(4-bromophenyl)-3-phenyl-2-thioxoimidazoli...)
Show SMILES Brc1ccc(cc1)C1(NC(=S)N(C1=O)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H14Br2N2OS/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(26)25(20(27)24-21)18-4-2-1-3-5-18/h1-13H,(H,24,27)
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3.45E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177165
PNG
(1-(bis(4-chlorophenyl)methyl)-3-phenylurea | CHEMB...)
Show SMILES Clc1ccc(cc1)C(NC(=O)Nc1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16Cl2N2O/c21-16-10-6-14(7-11-16)19(15-8-12-17(22)13-9-15)24-20(25)23-18-4-2-1-3-5-18/h1-13,19H,(H2,23,24,25)
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7.05E+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 expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177164
PNG
(1-[bis(4-bromophenyl)methyl]-3-(4-chlorophenyl)thi...)
Show SMILES Clc1ccc(NC(=S)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H15Br2ClN2S/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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n/an/an/an/a 1.25E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
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
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067498
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1 |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-/m0/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
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177163
PNG
(1-(bis(4-chlorophenyl)methyl)-3-(4-bromophenyl)ure...)
Show SMILES Clc1ccc(cc1)C(NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15BrCl2N2O/c21-15-5-11-18(12-6-15)24-20(26)25-19(13-1-7-16(22)8-2-13)14-3-9-17(23)10-4-14/h1-12,19H,(H2,24,25,26)
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n/an/an/an/a 700n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177162
PNG
(1-[bis(4-bromophenyl)methyl]-3-(4-chlorophenyl)-ur...)
Show SMILES Clc1ccc(NC(=O)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H15Br2ClN2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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n/an/an/an/a 450n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177155
PNG
(1-(bis(4-bromophenyl)methyl)-3-(4-bromophenyl)urea...)
Show SMILES Brc1ccc(NC(=O)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H15Br3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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n/an/an/an/a 500n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177159
PNG
(1-[bis(4-chlorophenyl)methyl]-3-(4-chlorophenyl)- ...)
Show SMILES Clc1ccc(NC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H15Cl3N2O/c21-15-5-1-13(2-6-15)19(14-3-7-16(22)8-4-14)25-20(26)24-18-11-9-17(23)10-12-18/h1-12,19H,(H2,24,25,26)
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n/an/an/an/a 1.05E+3n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%