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PubMed code 15801840

Compile data set for download or QSAR
Found 19 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



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
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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18.6n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164429
PNG
(3-Allyl-5,5-bis-(4-iodo-phenyl)-2-thioxo-imidazoli...)
Show SMILES Ic1ccc(cc1)C1(NC(=S)N(CC=C)C1=O)c1ccc(I)cc1
Show InChI InChI=1S/C18H14I2N2OS/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
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589n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164432
PNG
(3-Butyl-5,5-bis-(4-iodo-phenyl)-2-thioxo-imidazoli...)
Show SMILES CCCCN1C(=S)NC(C1=O)(c1ccc(I)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C19H18I2N2OS/c1-2-3-12-23-17(24)19(22-18(23)25,13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11H,2-3,12H2,1H3,(H,22,25)
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724n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164431
PNG
(3-Allyl-5,5-bis-(4-bromo-phenyl)-2-thioxo-imidazol...)
Show SMILES Brc1ccc(cc1)C1(NC(=S)N(CC=C)C1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C18H14Br2N2OS/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
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871n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164441
PNG
(3-Benzyl-5,5-bis-(4-bromo-phenyl)-2-thioxo-imidazo...)
Show SMILES Brc1ccc(cc1)C1(NC(=S)N(Cc2ccccc2)C1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C22H16Br2N2OS/c23-18-10-6-16(7-11-18)22(17-8-12-19(24)13-9-17)20(27)26(21(28)25-22)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,28)
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993n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164442
PNG
(5,5-Bis-(4-bromo-phenyl)-3-butyl-2-thioxo-imidazol...)
Show SMILES CCCCN1C(=S)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2N2OS/c1-2-3-12-23-17(24)19(22-18(23)25,13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11H,2-3,12H2,1H3,(H,22,25)
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1.41E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164439
PNG
(3-Allyl-5,5-bis-(4-iodo-phenyl)-imidazolidine-2,4-...)
Show SMILES Ic1ccc(cc1)C1(NC(=O)N(CC=C)C1=O)c1ccc(I)cc1
Show InChI InChI=1S/C18H14I2N2O2/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
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1.74E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164433
PNG
(5,5-Bis-(4-bromo-phenyl)-3-isobutyl-2-thioxo-imida...)
Show SMILES CC(C)CN1C(=S)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2N2OS/c1-12(2)11-23-17(24)19(22-18(23)25,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,25)
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1.78E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164430
PNG
(3-Butyl-5,5-bis-(4-iodo-phenyl)-imidazolidine-2,4-...)
Show SMILES CCCCN1C(=O)NC(C1=O)(c1ccc(I)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C19H18I2N2O2/c1-2-3-12-23-17(24)19(22-18(23)25,13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11H,2-3,12H2,1H3,(H,22,25)
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1.82E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164438
PNG
(5,5-Bis-(4-chloro-phenyl)-3-isobutyl-2-thioxo-imid...)
Show SMILES CC(C)CN1C(=S)NC(C1=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N2OS/c1-12(2)11-23-17(24)19(22-18(23)25,13-3-7-15(20)8-4-13)14-5-9-16(21)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,25)
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2.09E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164440
PNG
(3-Benzyl-5,5-bis-(4-chloro-phenyl)-2-thioxo-imidaz...)
Show SMILES Clc1ccc(cc1)C1(NC(=S)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H16Cl2N2OS/c23-18-10-6-16(7-11-18)22(17-8-12-19(24)13-9-17)20(27)26(21(28)25-22)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,28)
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2.19E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164428
PNG
(5,5-Bis-(4-bromo-phenyl)-3-ethyl-2-thioxo-imidazol...)
Show SMILES CCN1C(=S)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H14Br2N2OS/c1-2-21-15(22)17(20-16(21)23,11-3-7-13(18)8-4-11)12-5-9-14(19)10-6-12/h3-10H,2H2,1H3,(H,20,23)
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2.19E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164443
PNG
(3-Benzyl-5,5-bis-(4-bromo-phenyl)-imidazolidine-2,...)
Show SMILES Brc1ccc(cc1)C1(NC(=O)N(Cc2ccccc2)C1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C22H16Br2N2O2/c23-18-10-6-16(7-11-18)22(17-8-12-19(24)13-9-17)20(27)26(21(28)25-22)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,25,28)
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3.47E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164437
PNG
(5,5-Bis-(4-bromo-phenyl)-3-isopropyl-2-thioxo-imid...)
Show SMILES CC(C)N1C(=S)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H16Br2N2OS/c1-11(2)22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,24)
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3.63E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164435
PNG
(5,5-Bis-(4-chloro-phenyl)-3-phenethyl-2-thioxo-imi...)
Show SMILES Clc1ccc(cc1)C1(NC(=S)N(CCc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl2N2OS/c24-19-10-6-17(7-11-19)23(18-8-12-20(25)13-9-18)21(28)27(22(29)26-23)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)
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3.80E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
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



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164436
PNG
(5,5-Bis-(4-bromo-phenyl)-3-butyl-imidazolidine-2,4...)
Show SMILES CCCCN1C(=O)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2N2O2/c1-2-3-12-23-17(24)19(22-18(23)25,13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11H,2-3,12H2,1H3,(H,22,25)
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5.50E+3n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50164434
PNG
(5,5-Bis-(4-bromo-phenyl)-3-phenethyl-2-thioxo-imid...)
Show SMILES Brc1ccc(cc1)C1(NC(=S)N(CCc2ccccc2)C1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H18Br2N2OS/c24-19-10-6-17(7-11-19)23(18-8-12-20(25)13-9-18)21(28)27(22(29)26-23)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Université catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SR-141,716A binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 2509-17 (2005)


Article DOI: 10.1021/jm049263k
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%