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PubMed code 26876931

Compile data set for download or QSAR
Found 36 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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159929
PNG
(CHEMBL3786752)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC(CC)C=N1 |c:22|
Show InChI InChI=1S/C14H20ClN5O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-13(16)12(15)7-11/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19)
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PubMed
 1.5n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159784
PNG
(CHEMBL3785453)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(22-11-16(10-20-22)7-3-4-8-16)21-25(23,24)12-5-6-14(18)13(17)9-12/h5-6,9-10H,2-4,7-8,11,18H2,1H3,(H,19,21)
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 1.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159769
PNG
(CHEMBL3785100)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(CCCC2)C=N1 |c:27|
Show InChI InChI=1S/C18H23N5O2S/c1-2-19-17(23-13-18(12-21-23)8-3-4-9-18)22-26(24,25)15-5-6-16-14(11-15)7-10-20-16/h5-7,10-12,20H,2-4,8-9,13H2,1H3,(H,19,22)
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 4.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159783
PNG
(CHEMBL3787201)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(O)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H22N4O3S/c1-2-17-15(20-12-16(11-18-20)9-3-4-10-16)19-24(22,23)14-7-5-13(21)6-8-14/h5-8,11,21H,2-4,9-10,12H2,1H3,(H,17,19)
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 5.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159754
PNG
(CHEMBL3785512)
Show SMILES CCN\C(=N/S(=O)(=O)c1cc(O)cc(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(21-11-16(10-19-21)5-3-4-6-16)20-25(23,24)14-8-12(17)7-13(22)9-14/h7-10,22H,2-6,11H2,1H3,(H,18,20)
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 6.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159786
PNG
(CHEMBL3786693)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCCC2)C=N1 |c:25|
Show InChI InChI=1S/C17H25N5O2S/c1-2-19-16(21-25(23,24)15-8-6-14(18)7-9-15)22-13-17(12-20-22)10-4-3-5-11-17/h6-9,12H,2-5,10-11,13,18H2,1H3,(H,19,21)
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 7.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159931
PNG
(CHEMBL3785626)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC(CC)C=N1 |c:21|
Show InChI InChI=1S/C14H21N5O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-12(15)6-8-13/h5-9,11H,3-4,10,15H2,1-2H3,(H,16,18)
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 7.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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 7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159930
PNG
(CHEMBL3787014)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)N1CC(CC)C=N1 |c:25|
Show InChI InChI=1S/C16H22ClN5O3S/c1-4-12-9-19-22(10-12)16(18-5-2)21-26(24,25)13-6-7-15(14(17)8-13)20-11(3)23/h6-9,12H,4-5,10H2,1-3H3,(H,18,21)(H,20,23)
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 8.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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 10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159766
PNG
(CHEMBL3787525)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(CCNCC2)C=N1 |c:28|
Show InChI InChI=1S/C18H24N6O2S/c1-2-20-17(24-13-18(12-22-24)6-9-19-10-7-18)23-27(25,26)15-3-4-16-14(11-15)5-8-21-16/h3-5,8,11-12,19,21H,2,6-7,9-10,13H2,1H3,(H,20,23)
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 12n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159785
PNG
(CHEMBL3785231)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCNCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H24N6O2S/c1-2-19-15(21-25(23,24)14-5-3-13(17)4-6-14)22-12-16(11-20-22)7-9-18-10-8-16/h3-6,11,18H,2,7-10,12,17H2,1H3,(H,19,21)
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 14n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159777
PNG
(CHEMBL3785431)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(O)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(21-11-16(10-19-21)7-3-4-8-16)20-25(23,24)12-5-6-14(22)13(17)9-12/h5-6,9-10,22H,2-4,7-8,11H2,1H3,(H,18,20)
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 15n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159757
PNG
(CHEMBL3785259)
Show SMILES CCN\C(=N/S(=O)(=O)c1cccc(O)c1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H22N4O3S/c1-2-17-15(20-12-16(11-18-20)8-3-4-9-16)19-24(22,23)14-7-5-6-13(21)10-14/h5-7,10-11,21H,2-4,8-9,12H2,1H3,(H,17,19)
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 19n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159932
PNG
(CHEMBL3785864)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC(C)(C)C=N1 |c:21|
Show InChI InChI=1S/C14H21N5O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-11(15)6-8-12/h5-9H,4,10,15H2,1-3H3,(H,16,18)
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 21n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50354586
PNG
(CHEMBL1834234)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22)
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 24n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50354593
PNG
(CHEMBL1834345)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-4-16-13(19-10-14(2,3)9-17-19)18-22(20,21)12-7-5-6-11(15)8-12/h5-9H,4,10H2,1-3H3,(H,16,18)
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 24n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159770
PNG
(CHEMBL3787508)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2NCCc2c1)N1CC2(CCCC2)C=N1 |c:27|
Show InChI InChI=1S/C18H25N5O2S/c1-2-19-17(23-13-18(12-21-23)8-3-4-9-18)22-26(24,25)15-5-6-16-14(11-15)7-10-20-16/h5-6,11-12,20H,2-4,7-10,13H2,1H3,(H,19,22)
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 25n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159768
PNG
(CHEMBL3786087)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]ncc2c1)N1CC2(CCCC2)C=N1 |c:27|
Show InChI InChI=1S/C17H22N6O2S/c1-2-18-16(23-12-17(11-20-23)7-3-4-8-17)22-26(24,25)14-5-6-15-13(9-14)10-19-21-15/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,18,22)(H,19,21)
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 29n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159759
PNG
(CHEMBL3787246)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2cc[nH]c2c1)N1CC(CC)C=N1 |c:24|
Show InChI InChI=1S/C16H21N5O2S/c1-3-12-10-19-21(11-12)16(17-4-2)20-24(22,23)14-6-5-13-7-8-18-15(13)9-14/h5-10,12,18H,3-4,11H2,1-2H3,(H,17,20)
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 32n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50354598
PNG
(CHEMBL1834225)
Show SMILES CCN=C(NS(=O)(=O)c1ccccc1)N1CC(CC)C=N1 |w:2.1,c:20|
Show InChI InChI=1S/C14H20N4O2S/c1-3-12-10-16-18(11-12)14(15-4-2)17-21(19,20)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,15,17)
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 34n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159694
PNG
(CHEMBL3786703)
Show SMILES CCN\C(=N/S(=O)(=O)c1cc(Cl)cc(OC)c1)N1CC2(CCCC2)C=N1 |c:26|
Show InChI InChI=1S/C17H23ClN4O3S/c1-3-19-16(22-12-17(11-20-22)6-4-5-7-17)21-26(23,24)15-9-13(18)8-14(10-15)25-2/h8-11H,3-7,12H2,1-2H3,(H,19,21)
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 48n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159756
PNG
(CHEMBL3785278)
Show SMILES CCN\C(=N/S(=O)(=O)c1cccc(OC)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C17H24N4O3S/c1-3-18-16(21-13-17(12-19-21)9-4-5-10-17)20-25(22,23)15-8-6-7-14(11-15)24-2/h6-8,11-12H,3-5,9-10,13H2,1-2H3,(H,18,20)
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 97n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159764
PNG
(CHEMBL3786563)
Show SMILES CCN\C(=N/S(=O)(=O)c1cccc(N)c1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12,17H2,1H3,(H,18,20)
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 97n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50354581
PNG
(CHEMBL1834352)
Show SMILES CCN=C(NS(=O)(=O)c1ccccc1)N1CC(C)(C)C=N1 |w:2.1,c:20|
Show InChI InChI=1S/C14H20N4O2S/c1-4-15-13(18-11-14(2,3)10-16-18)17-21(19,20)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,15,17)
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 147n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159767
PNG
(CHEMBL3786071)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]c(cc2c1)C(F)(F)F)N1CC(C)(C)C=N1 |c:28|
Show InChI InChI=1S/C17H20F3N5O2S/c1-4-21-15(25-10-16(2,3)9-22-25)24-28(26,27)12-5-6-13-11(7-12)8-14(23-13)17(18,19)20/h5-9,23H,4,10H2,1-3H3,(H,21,24)
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 160n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159910
PNG
(CHEMBL3786951)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(cc1)N(C)C)N1CC(CC)C=N1 |c:23|
Show InChI InChI=1S/C16H25N5O2S/c1-5-13-11-18-21(12-13)16(17-6-2)19-24(22,23)15-9-7-14(8-10-15)20(3)4/h7-11,13H,5-6,12H2,1-4H3,(H,17,19)
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 206n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159779
PNG
(CHEMBL3786432)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(OC)cc1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C17H24N4O3S/c1-3-18-16(21-13-17(12-19-21)10-4-5-11-17)20-25(22,23)15-8-6-14(24-2)7-9-15/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,18,20)
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 210n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159789
PNG
(CHEMBL3785894)
Show SMILES CCN\C(=N/S(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(O)cc1 |c:17|
Show InChI InChI=1S/C18H19ClN4O3S/c1-2-20-18(22-27(25,26)16-5-3-4-14(19)12-16)23-17(10-11-21-23)13-6-8-15(24)9-7-13/h3-9,11-12,17,24H,2,10H2,1H3,(H,20,22)
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 251n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159760
PNG
(CHEMBL3785853)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2CCNc2c1)N1CC(CC)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-3-12-10-19-21(11-12)16(17-4-2)20-24(22,23)14-6-5-13-7-8-18-15(13)9-14/h5-6,9-10,12,18H,3-4,7-8,11H2,1-2H3,(H,17,20)
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 399n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159776
PNG
(CHEMBL3785105)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(OC)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:26|
Show InChI InChI=1S/C17H23ClN4O3S/c1-3-19-16(22-12-17(11-20-22)8-4-5-9-17)21-26(23,24)13-6-7-15(25-2)14(18)10-13/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor (unknown origin)

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50159806
PNG
(CHEMBL3787388)
Show SMILES CCN\C(=N/S(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccc(N)cc1 |c:17|
Show InChI InChI=1S/C18H20ClN5O2S/c1-2-21-18(23-27(25,26)16-5-3-4-14(19)12-16)24-17(10-11-22-24)13-6-8-15(20)9-7-13/h3-9,11-12,17H,2,10,20H2,1H3,(H,21,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/2


(Homo sapiens (Human))		BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to Cannabinoid receptor (unknown origin)

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1E/1F/2A/2B/2C/3A/3B/3C/3D/3E/4/5A/6/7


(Homo sapiens (Human))		BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT receptor (unknown origin)

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50159788
PNG
(CHEMBL3786973)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H23N5O2S/c1-2-18-15(21-12-16(11-19-21)9-3-4-10-16)20-24(22,23)14-7-5-13(17)6-8-14/h5-8,11H,2-4,9-10,12,17H2,1H3,(H,18,20)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%