Found 49 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93394
(PSTQ Analog, 3{1,27})Show SMILES CC1CCCCC1Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H23N5O2S/c1-15-9-5-7-13-18(15)23-20-17-12-6-8-14-19(17)27-21(24-20)22(25-26-27)30(28,29)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,23,24) | PDB
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PubMed
| 2.86 | n/a | 6.17 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93364
(PSTQ Analog, 3{1,22})Show SMILES O=S(=O)(c1nnn2c1nc(NCc1ccco1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H15N5O3S/c26-29(27,15-8-2-1-3-9-15)20-19-22-18(21-13-14-7-6-12-28-14)16-10-4-5-11-17(16)25(19)24-23-20/h1-12H,13H2,(H,21,22) | PDB
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| 3.54 | n/a | 7.62 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93393
(PSTQ Analog, 3{1,26})Show SMILES O=S(=O)(c1nnn2c1nc(NC1CCCCC1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C21H21N5O2S/c27-29(28,16-11-5-2-6-12-16)21-20-23-19(22-15-9-3-1-4-10-15)17-13-7-8-14-18(17)26(20)25-24-21/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23) | PDB
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| 5.01 | n/a | 10.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93392
(PSTQ Analog, 3{1,4})Show SMILES CCC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H19N5O2S/c1-3-13(2)20-17-15-11-7-8-12-16(15)24-18(21-17)19(22-23-24)27(25,26)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,21) | PDB
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| 7.04 | n/a | 15.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93385
(PSTQ Analog, 3{1,43})Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H19N5O2S/c1-27(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)28-22(24-21)23(25-26-28)31(29,30)18-12-6-3-7-13-18/h2-15H,16H2,1H3 | PDB
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| 7.65 | n/a | 16.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93376
(PSTQ Analog, 3{1,25})Show SMILES O=S(=O)(c1nnn2c1nc(NC1CCCC1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H19N5O2S/c26-28(27,15-10-2-1-3-11-15)20-19-22-18(21-14-8-4-5-9-14)16-12-6-7-13-17(16)25(19)24-23-20/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22) | PDB
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| 12.9 | n/a | 27.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93363
(PSTQ Analog, 3{1,21})Show SMILES O=S(=O)(c1nnn2c1nc(NCC1CCCO1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H19N5O3S/c26-29(27,15-8-2-1-3-9-15)20-19-22-18(21-13-14-7-6-12-28-14)16-10-4-5-11-17(16)25(19)24-23-20/h1-5,8-11,14H,6-7,12-13H2,(H,21,22) | PDB
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| 13.2 | n/a | 28.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93400
(PSTQ Analog, 3{8,4})Show SMILES CCC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1cc(C)ccc1C Show InChI InChI=1S/C21H23N5O2S/c1-5-15(4)22-19-16-8-6-7-9-17(16)26-20(23-19)21(24-25-26)29(27,28)18-12-13(2)10-11-14(18)3/h6-12,15H,5H2,1-4H3,(H,22,23) | PDB
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| 16.7 | n/a | 35.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93399
(PSTQ Analog, 3{1,49})Show SMILES CC1CCCCN1c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H21N5O2S/c1-15-9-7-8-14-25(15)19-17-12-5-6-13-18(17)26-20(22-19)21(23-24-26)29(27,28)16-10-3-2-4-11-16/h2-6,10-13,15H,7-9,14H2,1H3 | PDB
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| 19.5 | n/a | 42.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93395
(PSTQ Analog, 3{1,28})Show SMILES CC1CCC(CC1)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 |(-7.58,11.61,;-6.24,10.84,;-4.91,11.61,;-3.58,10.84,;-3.58,9.3,;-4.91,8.53,;-6.24,9.3,;-2.24,8.53,;-2.24,6.99,;-.91,6.22,;-.91,4.62,;.24,3.59,;-.39,2.18,;-1.92,2.34,;-2.24,3.85,;-3.58,4.68,;-4.91,3.91,;-6.24,4.68,;-6.24,6.22,;-4.91,6.99,;-3.58,6.22,;1.74,3.91,;1.43,5.42,;2.13,2.42,;3.23,4.31,;3.63,5.8,;5.12,6.19,;6.21,5.11,;5.81,3.62,;4.32,3.22,)| Show InChI InChI=1S/C22H23N5O2S/c1-15-11-13-16(14-12-15)23-20-18-9-5-6-10-19(18)27-21(24-20)22(25-26-27)30(28,29)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24) | PDB
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| 27.6 | n/a | 59.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93391
(PSTQ Analog, 3{1,3})Show SMILES CC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H17N5O2S/c1-12(2)19-16-14-10-6-7-11-15(14)23-17(20-16)18(21-22-23)26(24,25)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,20) | PDB
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| 49.5 | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93397
(PSTQ Analog, 3{1,42})Show SMILES CN(C)CCN(C)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H22N6O2S/c1-24(2)13-14-25(3)18-16-11-7-8-12-17(16)26-19(21-18)20(22-23-26)29(27,28)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3 | PDB
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| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93396
(PSTQ Analog, 3{1,40})Show SMILES CN(C)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15N5O2S/c1-21(2)15-13-10-6-7-11-14(13)22-16(18-15)17(19-20-22)25(23,24)12-8-4-3-5-9-12/h3-11H,1-2H3 | PDB
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| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93363
(PSTQ Analog, 3{1,21})Show SMILES O=S(=O)(c1nnn2c1nc(NCC1CCCO1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H19N5O3S/c26-29(27,15-8-2-1-3-9-15)20-19-22-18(21-13-14-7-6-12-28-14)16-10-4-5-11-17(16)25(19)24-23-20/h1-5,8-11,14H,6-7,12-13H2,(H,21,22) | PDB
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| n/a | n/a | 75.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93362
(PSTQ Analog, 3{1,13})Show SMILES Clc1ccccc1CNc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H16ClN5O2S/c23-18-12-6-4-8-15(18)14-24-20-17-11-5-7-13-19(17)28-21(25-20)22(26-27-28)31(29,30)16-9-2-1-3-10-16/h1-13H,14H2,(H,24,25) | PDB
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| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93364
(PSTQ Analog, 3{1,22})Show SMILES O=S(=O)(c1nnn2c1nc(NCc1ccco1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H15N5O3S/c26-29(27,15-8-2-1-3-9-15)20-19-22-18(21-13-14-7-6-12-28-14)16-10-4-5-11-17(16)25(19)24-23-20/h1-12H,13H2,(H,21,22) | PDB
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| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93386
(PSTQ Analog, 3{1,44})Show SMILES CCN(Cc1ccccc1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H21N5O2S/c1-2-28(17-18-11-5-3-6-12-18)22-20-15-9-10-16-21(20)29-23(25-22)24(26-27-29)32(30,31)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3 | PDB
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| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93382
(PSTQ Analog, 3{9,31})Show SMILES CCc1ccccc1Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(C)c(C)c1 Show InChI InChI=1S/C25H23N5O2S/c1-4-18-9-5-7-11-21(18)26-23-20-10-6-8-12-22(20)30-24(27-23)25(28-29-30)33(31,32)19-14-13-16(2)17(3)15-19/h5-15H,4H2,1-3H3,(H,26,27) | PDB
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| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93390
(PSTQ Analog, 3{1,2})Show InChI InChI=1S/C16H13N5O2S/c1-17-14-12-9-5-6-10-13(12)21-15(18-14)16(19-20-21)24(22,23)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18) | PDB
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| n/a | n/a | >300 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93366
(PSTQ Analog, 3{2,12})Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1ccccc1)c1ccccc21 Show InChI InChI=1S/C23H19N5O2S/c1-16-11-13-18(14-12-16)31(29,30)23-22-25-21(24-15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)28(22)27-26-23/h2-14H,15H2,1H3,(H,24,25) | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93372
(PSTQ Analog, 3{9,20})Show SMILES CC(Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 Show InChI InChI=1S/C25H23N5O2S/c1-16-13-14-20(15-17(16)2)33(31,32)25-24-27-23(26-18(3)19-9-5-4-6-10-19)21-11-7-8-12-22(21)30(24)29-28-25/h4-15,18H,1-3H3,(H,26,27) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93361
(PSTQ Analog, 3{1,12})Show SMILES O=S(=O)(c1nnn2c1nc(NCc1ccccc1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C22H17N5O2S/c28-30(29,17-11-5-2-6-12-17)22-21-24-20(23-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)27(21)26-25-22/h1-14H,15H2,(H,23,24) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93367
(PSTQ Analog, 3{2,13})Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1ccccc1Cl)c1ccccc21 Show InChI InChI=1S/C23H18ClN5O2S/c1-15-10-12-17(13-11-15)32(30,31)23-22-26-21(25-14-16-6-2-4-8-19(16)24)18-7-3-5-9-20(18)29(22)28-27-23/h2-13H,14H2,1H3,(H,25,26) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93385
(PSTQ Analog, 3{1,43})Show SMILES CN(Cc1ccccc1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H19N5O2S/c1-27(16-17-10-4-2-5-11-17)21-19-14-8-9-15-20(19)28-22(24-21)23(25-26-28)31(29,30)18-12-6-3-7-13-18/h2-15H,16H2,1H3 | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93377
(PSTQ Analog, 3{3,27})Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NC1CCCCC1C)c1ccccc21 Show InChI InChI=1S/C24H27N5O2S/c1-3-17-12-14-18(15-13-17)32(30,31)24-23-26-22(25-20-10-6-4-8-16(20)2)19-9-5-7-11-21(19)29(23)28-27-24/h5,7,9,11-16,20H,3-4,6,8,10H2,1-2H3,(H,25,26) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93376
(PSTQ Analog, 3{1,25})Show SMILES O=S(=O)(c1nnn2c1nc(NC1CCCC1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C20H19N5O2S/c26-28(27,15-10-2-1-3-11-15)20-19-22-18(21-14-8-4-5-9-14)16-12-6-7-13-17(16)25(19)24-23-20/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93371
(PSTQ Analog, 3{9,13})Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1nnn2c1nc(NCc1ccccc1C)c1ccccc21 Show InChI InChI=1S/C25H23N5O2S/c1-16-12-13-20(14-18(16)3)33(31,32)25-24-27-23(26-15-19-9-5-4-8-17(19)2)21-10-6-7-11-22(21)30(24)29-28-25/h4-14H,15H2,1-3H3,(H,26,27) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93357
(PSTQ Analog, 3{2,10})Show SMILES CC(CNc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 Show InChI InChI=1S/C25H23N5O2S/c1-17-12-14-20(15-13-17)33(31,32)25-24-27-23(26-16-18(2)19-8-4-3-5-9-19)21-10-6-7-11-22(21)30(24)29-28-25/h3-15,18H,16H2,1-2H3,(H,26,27) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93370
(PSTQ Analog, 3{6,20})Show SMILES CC(Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C23H18ClN5O2S/c1-15(16-7-3-2-4-8-16)25-21-19-9-5-6-10-20(19)29-22(26-21)23(27-28-29)32(30,31)18-13-11-17(24)12-14-18/h2-15H,1H3,(H,25,26) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93384
(PSTQ Analog, 3{10,33})Show SMILES COc1cccc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2c(C)cc(C)cc2C)c1 Show InChI InChI=1S/C25H23N5O3S/c1-15-12-16(2)22(17(3)13-15)34(31,32)25-24-27-23(26-18-8-7-9-19(14-18)33-4)20-10-5-6-11-21(20)30(24)29-28-25/h5-14H,1-4H3,(H,26,27) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93380
(PSTQ Analog, 3{7,37})Show SMILES Cc1cccc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2ccc(Br)cc2)c1C Show InChI InChI=1S/C23H18BrN5O2S/c1-14-6-5-8-19(15(14)2)25-21-18-7-3-4-9-20(18)29-22(26-21)23(27-28-29)32(30,31)17-12-10-16(24)11-13-17/h3-13H,1-2H3,(H,25,26) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93368
(PSTQ Analog, 3{2,20})Show SMILES CC(Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 Show InChI InChI=1S/C24H21N5O2S/c1-16-12-14-19(15-13-16)32(30,31)24-23-26-22(25-17(2)18-8-4-3-5-9-18)20-10-6-7-11-21(20)29(23)28-27-24/h3-15,17H,1-2H3,(H,25,26) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93381
(PSTQ Analog, 3{8,31})Show SMILES CCc1ccccc1Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1cc(C)ccc1C Show InChI InChI=1S/C25H23N5O2S/c1-4-18-9-5-7-11-20(18)26-23-19-10-6-8-12-21(19)30-24(27-23)25(28-29-30)33(31,32)22-15-16(2)13-14-17(22)3/h5-15H,4H2,1-3H3,(H,26,27) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93373
(PSTQ Analog, 3{9,21})Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1nnn2c1nc(NCC1CCCO1)c1ccccc21 Show InChI InChI=1S/C22H23N5O3S/c1-14-9-10-17(12-15(14)2)31(28,29)22-21-24-20(23-13-16-6-5-11-30-16)18-7-3-4-8-19(18)27(21)26-25-22/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,23,24) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93360
(PSTQ Analog, 3{10,4})Show SMILES CCC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C22H25N5O2S/c1-6-16(5)23-20-17-9-7-8-10-18(17)27-21(24-20)22(25-26-27)30(28,29)19-14(3)11-13(2)12-15(19)4/h7-12,16H,6H2,1-5H3,(H,23,24) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93387
(PSTQ Analog, 3{9,44})Show SMILES CCN(Cc1ccccc1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(C)c(C)c1 Show InChI InChI=1S/C26H25N5O2S/c1-4-30(17-20-10-6-5-7-11-20)24-22-12-8-9-13-23(22)31-25(27-24)26(28-29-31)34(32,33)21-15-14-18(2)19(3)16-21/h5-16H,4,17H2,1-3H3 | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93365
(PSTQ Analog, 3{1,23})Show SMILES O=S(=O)(c1nnn2c1nc(NCc1cccnc1)c1ccccc21)c1ccccc1 Show InChI InChI=1S/C21H16N6O2S/c28-30(29,16-8-2-1-3-9-16)21-20-24-19(23-14-15-7-6-12-22-13-15)17-10-4-5-11-18(17)27(20)26-25-21/h1-13H,14H2,(H,23,24) | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93383
(PSTQ Analog, 3{10,32})Show SMILES Cc1cccc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2c(C)cc(C)cc2C)c1 Show InChI InChI=1S/C25H23N5O2S/c1-15-8-7-9-19(14-15)26-23-20-10-5-6-11-21(20)30-24(27-23)25(28-29-30)33(31,32)22-17(3)12-16(2)13-18(22)4/h5-14H,1-4H3,(H,26,27) | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93355
(PSTQ Analog, 9)Show InChI InChI=1S/C17H14N4O2S2/c1-2-24-16-13-10-6-7-11-14(13)21-15(18-16)17(19-20-21)25(22,23)12-8-4-3-5-9-12/h3-11H,2H2,1H3 | PDB
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Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93389
(PSTQ Analog, 3{9,58})Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1nnn2c1nc(N1CCN(CC1)c1ccccn1)c1ccccc21 Show InChI InChI=1S/C26H25N7O2S/c1-18-10-11-20(17-19(18)2)36(34,35)26-25-28-24(21-7-3-4-8-22(21)33(25)30-29-26)32-15-13-31(14-16-32)23-9-5-6-12-27-23/h3-12,17H,13-16H2,1-2H3 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93388
(PSTQ Analog, 3{9,53})Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1nnn2c1nc(N1CCCCCC1)c1ccccc21 Show InChI InChI=1S/C23H25N5O2S/c1-16-11-12-18(15-17(16)2)31(29,30)23-22-24-21(27-13-7-3-4-8-14-27)19-9-5-6-10-20(19)28(22)26-25-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3 | PDB
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PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93356
(PSTQ Analog, 10)Show SMILES COCCOc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16N4O4S/c1-25-11-12-26-17-14-9-5-6-10-15(14)22-16(19-17)18(20-21-22)27(23,24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3 | PDB
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| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93379
(PSTQ Analog, 3{7,31})Show SMILES CCc1ccccc1Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H18BrN5O2S/c1-2-15-7-3-5-9-19(15)25-21-18-8-4-6-10-20(18)29-22(26-21)23(27-28-29)32(30,31)17-13-11-16(24)12-14-17/h3-14H,2H2,1H3,(H,25,26) | PDB
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| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93374
(PSTQ Analog, 3{10,21})Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)c1nnn2c1nc(NCC1CCCO1)c1ccccc21 Show InChI InChI=1S/C23H25N5O3S/c1-14-11-15(2)20(16(3)12-14)32(29,30)23-22-25-21(24-13-17-7-6-10-31-17)18-8-4-5-9-19(18)28(22)27-26-23/h4-5,8-9,11-12,17H,6-7,10,13H2,1-3H3,(H,24,25) | PDB
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| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93369
(PSTQ Analog, 3{2,21})Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCC1CCCO1)c1ccccc21 Show InChI InChI=1S/C21H21N5O3S/c1-14-8-10-16(11-9-14)30(27,28)21-20-23-19(22-13-15-5-4-12-29-15)17-6-2-3-7-18(17)26(20)25-24-21/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,22,23) | PDB
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| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93375
(PSTQ Analog, 3{12,21})Show SMILES Clc1ccc2c(c1)c(NCC1CCCO1)nc1c(nnn21)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H18ClN5O3S/c21-13-8-9-17-16(11-13)18(22-12-14-5-4-10-29-14)23-19-20(24-25-26(17)19)30(27,28)15-6-2-1-3-7-15/h1-3,6-9,11,14H,4-5,10,12H2,(H,22,23) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93358
(PSTQ Analog, 3{9,9})Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1nnn2c1nc(NCCc1ccccc1)c1ccccc21 Show InChI InChI=1S/C25H23N5O2S/c1-17-12-13-20(16-18(17)2)33(31,32)25-24-27-23(26-15-14-19-8-4-3-5-9-19)21-10-6-7-11-22(21)30(24)29-28-25/h3-13,16H,14-15H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93359
(PSTQ Analog, 3{10,3})Show SMILES CC(C)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C21H23N5O2S/c1-12(2)22-19-16-8-6-7-9-17(16)26-20(23-19)21(24-25-26)29(27,28)18-14(4)10-13(3)11-15(18)5/h6-12H,1-5H3,(H,22,23) | PDB
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| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM93354
(PSTQ Analog, 8)Show InChI InChI=1S/C15H10N4O2S/c20-22(21,12-7-2-1-3-8-12)15-14-16-10-11-6-4-5-9-13(11)19(14)18-17-15/h1-10H | PDB
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| n/a | n/a | 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute
| Assay Description
Radioligand binding assay using 5-HT6R. |
J Comb Chem 12: 445-52 (2010)
Article DOI: 10.1021/cc1000049
BindingDB Entry DOI: 10.7270/Q2KH0KX6 |
More data for this
Ligand-Target Pair | |
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