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PubMed code 20719511

Compile data set for download or QSAR
Found 17 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))
BDBM50325890
PNG
(CHEMBL1224536 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(O)CC(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C26H25N3O4/c1-26(2,31)14-24(30)28-18-10-9-17-11-12-29(22(17)13-18)15-19-5-3-7-21(27-19)20-6-4-8-23-25(20)33-16-32-23/h3-13,31H,14-16H2,1-2H3,(H,28,30)
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n/an/a 3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325894
PNG
(CHEMBL1224615 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)CC(C)(C)O)ccc12
Show InChI InChI=1S/C27H27N3O4/c1-27(2,32)14-25(31)29-19-10-11-23-21(13-19)17(15-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-26(20)34-16-33-24/h4-11,13,15,32H,12,14,16H2,1-3H3,(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325892
PNG
(CHEMBL1224613 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)C(C)(C)CO)ccc12
Show InChI InChI=1S/C27H27N3O4/c1-27(2,15-31)26(32)29-19-10-11-23-21(13-19)17(14-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-25(20)34-16-33-24/h4-11,13-14,31H,12,15-16H2,1-3H3,(H,29,32)
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n/an/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325888
PNG
(CHEMBL1224534 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(CO)C(=O)Nc1ccc2ccn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C26H25N3O4/c1-26(2,15-30)25(31)28-18-10-9-17-11-12-29(22(17)13-18)14-19-5-3-7-21(27-19)20-6-4-8-23-24(20)33-16-32-23/h3-13,30H,14-16H2,1-2H3,(H,28,31)
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n/an/a 7n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325895
PNG
(CHEMBL1224667 | N-(3-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)CC(C)(C)O)cc23)n1
Show InChI InChI=1S/C27H28FN3O3/c1-27(2,33)15-26(32)30-20-9-11-24-22(14-20)17(16-31(24)3)12-19-6-5-7-23(29-19)21-10-8-18(28)13-25(21)34-4/h5-11,13-14,16,33H,12,15H2,1-4H3,(H,30,32)
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n/an/a 19n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325882
PNG
(CHEMBL1224373 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2ncn(Cc3cccc(n3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C25H24N4O3/c1-25(2,3)24(30)28-16-10-11-20-21(12-16)29(14-26-20)13-17-6-4-8-19(27-17)18-7-5-9-22-23(18)32-15-31-22/h4-12,14H,13,15H2,1-3H3,(H,28,30)
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n/an/a 21n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325891
PNG
(CHEMBL1224612 | N-(1-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)CC(C)(C)O)cc23)n1
Show InChI InChI=1S/C26H26FN3O3/c1-26(2,32)15-25(31)29-19-9-7-17-11-12-30(23(17)14-19)16-20-5-4-6-22(28-20)21-10-8-18(27)13-24(21)33-3/h4-14,32H,15-16H2,1-3H3,(H,29,31)
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n/an/a 23n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325893
PNG
(CHEMBL1224614 | N-(3-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)C(C)(C)CO)cc23)n1
Show InChI InChI=1S/C27H28FN3O3/c1-27(2,16-32)26(33)30-20-9-11-24-22(14-20)17(15-31(24)3)12-19-6-5-7-23(29-19)21-10-8-18(28)13-25(21)34-4/h5-11,13-15,32H,12,16H2,1-4H3,(H,30,33)
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n/an/a 27n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325886
PNG
(CHEMBL1224460 | N-(3-(3-(benzo[d][1,3]dioxol-4-yl)...)
Show SMILES Cn1cc(Cc2cccc(c2)-c2cccc3OCOc23)c2cc(NC(=O)C(C)(C)C)ccc12
Show InChI InChI=1S/C28H28N2O3/c1-28(2,3)27(31)29-21-11-12-24-23(15-21)20(16-30(24)4)14-18-7-5-8-19(13-18)22-9-6-10-25-26(22)33-17-32-25/h5-13,15-16H,14,17H2,1-4H3,(H,29,31)
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n/an/a 37n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325887
PNG
(CHEMBL1224533 | N-(3-((4'-fluoro-2'-methoxybipheny...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)C(C)(C)C)cc23)c1
Show InChI InChI=1S/C28H29FN2O2/c1-28(2,3)27(32)30-22-10-12-25-24(16-22)20(17-31(25)4)14-18-7-6-8-19(13-18)23-11-9-21(29)15-26(23)33-5/h6-13,15-17H,14H2,1-5H3,(H,30,32)
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n/an/a 45n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325889
PNG
(CHEMBL1224535 | N-(1-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)C(C)(C)CO)cc23)n1
Show InChI InChI=1S/C26H26FN3O3/c1-26(2,16-31)25(32)29-19-9-7-17-11-12-30(23(17)14-19)15-20-5-4-6-22(28-20)21-10-8-18(27)13-24(21)33-3/h4-14,31H,15-16H2,1-3H3,(H,29,32)
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n/an/a 45n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325884
PNG
(CHEMBL1224458 | N-(1-(3-(benzo[d][1,3]dioxol-4-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2ccn(Cc3cccc(c3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C27H26N2O3/c1-27(2,3)26(30)28-21-11-10-19-12-13-29(23(19)15-21)16-18-6-4-7-20(14-18)22-8-5-9-24-25(22)32-17-31-24/h4-15H,16-17H2,1-3H3,(H,28,30)
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n/an/a 51n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325885
PNG
(CHEMBL1224459 | N-(1-((4'-fluoro-2'-methoxybipheny...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)C(C)(C)C)cc23)c1
Show InChI InChI=1S/C27H27FN2O2/c1-27(2,3)26(31)29-22-10-8-19-12-13-30(24(19)16-22)17-18-6-5-7-20(14-18)23-11-9-21(28)15-25(23)32-4/h5-16H,17H2,1-4H3,(H,29,31)
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n/an/a 58n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325880
PNG
(CHEMBL1224371 | N-(1-(3-(benzo[d][1,3]dioxol-4-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2ncn(Cc3cccc(c3)-c3cccc4OCOc34)c2c1
Show InChI InChI=1S/C26H25N3O3/c1-26(2,3)25(30)28-19-10-11-21-22(13-19)29(15-27-21)14-17-6-4-7-18(12-17)20-8-5-9-23-24(20)32-16-31-23/h4-13,15H,14,16H2,1-3H3,(H,28,30)
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n/an/a 64n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325883
PNG
(CHEMBL1224457 | N-(1-((6-(4-fluoro-2-methoxyphenyl...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2cnc3ccc(NC(=O)C(C)(C)C)cc23)n1
Show InChI InChI=1S/C25H25FN4O2/c1-25(2,3)24(31)29-17-9-11-21-22(13-17)30(15-27-21)14-18-6-5-7-20(28-18)19-10-8-16(26)12-23(19)32-4/h5-13,15H,14H2,1-4H3,(H,29,31)
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n/an/a 73n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325879
PNG
(CHEMBL1224370 | N-(3-fluorobenzyl)-1-((2'-methoxyb...)
Show SMILES COc1ccccc1-c1cccc(Cn2cnc3ccc(cc23)C(=O)NCc2cccc(F)c2)c1
Show InChI InChI=1S/C29H24FN3O2/c1-35-28-11-3-2-10-25(28)22-8-4-7-21(14-22)18-33-19-32-26-13-12-23(16-27(26)33)29(34)31-17-20-6-5-9-24(30)15-20/h2-16,19H,17-18H2,1H3,(H,31,34)
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n/an/a 104n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325881
PNG
(CHEMBL1224372 | N-(1-((4'-fluoro-2'-methoxybipheny...)
Show SMILES COc1cc(F)ccc1-c1cccc(Cn2cnc3ccc(NC(=O)C(C)(C)C)cc23)c1
Show InChI InChI=1S/C26H26FN3O2/c1-26(2,3)25(31)29-20-9-11-22-23(14-20)30(16-28-22)15-17-6-5-7-18(12-17)21-10-8-19(27)13-24(21)32-4/h5-14,16H,15H2,1-4H3,(H,29,31)
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n/an/a 269n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5449-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.091
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%