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PubMed code 18342403

Compile data set for download or QSAR
Found 13 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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PubMed
25n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247204
PNG
(CHEMBL474125 | N-Cyclopropyl-1-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C19H14Cl2IN3O/c20-12-3-8-17(16(21)9-12)25-18(11-1-4-13(22)5-2-11)15(10-23-25)19(26)24-14-6-7-14/h1-5,8-10,14H,6-7H2,(H,24,26)
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210n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247415
PNG
(5-(4-Chlorophenyl)-N-cyclopropyl-1-(2,4-dichloroph...)
Show SMILES Clc1ccc(cc1)-c1c(cnn1-c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
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850n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247428
PNG
(5-(4-Bromophenyl)-N-cyclopropyl-1-(2,4-dichlorophe...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CC2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C19H14BrCl2N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
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1.00E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247429
PNG
(5-(4-Bromophenyl)-N-cycloheptyl-1-(2,4-dichlorophe...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CCCCCC2)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrCl2N3O/c24-16-9-7-15(8-10-16)22-19(23(30)28-18-5-3-1-2-4-6-18)14-27-29(22)21-12-11-17(25)13-20(21)26/h7-14,18H,1-6H2,(H,28,30)
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247205
PNG
(CHEMBL516381 | N-Cycloheptyl-1-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NC2CCCCCC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C23H22Cl2IN3O/c24-16-9-12-21(20(25)13-16)29-22(15-7-10-17(26)11-8-15)19(14-27-29)23(30)28-18-5-3-1-2-4-6-18/h7-14,18H,1-6H2,(H,28,30)
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247430
PNG
(1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-N-piperidi...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NN2CCCCC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C21H19Cl2IN4O/c22-15-6-9-19(18(23)12-15)28-20(14-4-7-16(24)8-5-14)17(13-25-28)21(29)26-27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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1.30E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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1.58E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50247430
PNG
(1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-N-piperidi...)
Show SMILES Clc1ccc(c(Cl)c1)-n1ncc(C(=O)NN2CCCCC2)c1-c1ccc(I)cc1
Show InChI InChI=1S/C21H19Cl2IN4O/c22-15-6-9-19(18(23)12-15)28-20(14-4-7-16(24)8-5-14)17(13-25-28)21(29)26-27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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1.90E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247416
PNG
(5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-N-(4-meth...)
Show SMILES CN1CCN(CC1)NC(=O)c1cnn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20BrCl2N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
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2.60E+3n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50247390
PNG
(5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-met...)
Show SMILES CN1CCN(CC1)NC(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20Cl3N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
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1.60E+4n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50247415
PNG
(5-(4-Chlorophenyl)-N-cyclopropyl-1-(2,4-dichloroph...)
Show SMILES Clc1ccc(cc1)-c1c(cnn1-c1ccc(Cl)cc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C19H14Cl3N3O/c20-12-3-1-11(2-4-12)18-15(19(26)24-14-6-7-14)10-23-25(18)17-8-5-13(21)9-16(17)22/h1-5,8-10,14H,6-7H2,(H,24,26)
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2.10E+4n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50247416
PNG
(5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-N-(4-meth...)
Show SMILES CN1CCN(CC1)NC(=O)c1cnn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H20BrCl2N5O/c1-27-8-10-28(11-9-27)26-21(30)17-13-25-29(19-7-6-16(23)12-18(19)24)20(17)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,26,30)
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3.00E+4n/an/an/an/an/an/an/an/a



Università di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55212-2 from human CB2 receptor expressed in CHO cells


Eur J Med Chem 43: 2627-38 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.043
BindingDB Entry DOI: 10.7270/Q2ZS2W9S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%