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PubMed code 20349953

Compile data set for download or QSAR
Found 49 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM93394
PNG
(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)
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PubMed
2.86n/a 6.17n/an/an/an/an/an/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
PNG
(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)
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PubMed
3.54n/a 7.62n/an/an/an/an/an/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
PNG
(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)
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5.01n/a 10.8n/an/an/an/an/an/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
PNG
(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)
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7.04n/a 15.2n/an/an/an/an/an/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
PNG
(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
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7.65n/a 16.5n/an/an/an/an/an/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
PNG
(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)
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12.9n/a 27.8n/an/an/an/an/an/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
PNG
(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)
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13.2n/a 28.4n/an/an/an/an/an/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
PNG
(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)
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16.7n/a 35.9n/an/an/an/an/an/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
PNG
(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
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19.5n/a 42.1n/an/an/an/an/an/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
PNG
(PSTQ Analog, 3{1,28})
Show SMILES CC1CCC(CC1)Nc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
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)
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27.6n/a 59.5n/an/an/an/an/an/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
PNG
(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)
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49.5n/a 107n/an/an/an/an/an/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
PNG
(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
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n/an/a>30n/an/an/an/an/an/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
PNG
(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
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n/an/a>30n/an/an/an/an/an/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
PNG
(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)
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n/an/a 75.4n/an/an/an/an/an/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
PNG
(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)
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n/an/a 128n/an/an/an/an/an/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
PNG
(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)
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n/an/a 142n/an/an/an/an/an/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
PNG
(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
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n/an/a 164n/an/an/an/an/an/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
PNG
(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)
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n/an/a 295n/an/an/an/an/an/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
PNG
(PSTQ Analog, 3{1,2})
Show SMILES CNc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
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)
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n/an/a>300n/an/an/an/an/an/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
PNG
(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)
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n/an/a 320n/an/an/an/an/an/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
PNG
(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)
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n/an/a 356n/an/an/an/an/an/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))
BDBM93361
PNG
(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)
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n/an/a 381n/an/an/an/an/an/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))
BDBM93367
PNG
(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)
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n/an/a 528n/an/an/an/an/an/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
PNG
(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
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n/an/a 564n/an/an/an/an/an/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))
BDBM93377
PNG
(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)
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n/an/a 572n/an/an/an/an/an/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
PNG
(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)
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n/an/a 580n/an/an/an/an/an/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))
BDBM93371
PNG
(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)
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n/an/a 603n/an/an/an/an/an/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))
BDBM93357
PNG
(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)
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n/an/a 606n/an/an/an/an/an/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))
BDBM93370
PNG
(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)
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n/an/a 628n/an/an/an/an/an/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))
BDBM93384
PNG
(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)
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n/an/a 670n/an/an/an/an/an/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))
BDBM93380
PNG
(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)
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n/an/a 704n/an/an/an/an/an/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))
BDBM93368
PNG
(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)
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n/an/a 740n/an/an/an/an/an/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))
BDBM93381
PNG
(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)
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n/an/a 770n/an/an/an/an/an/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))
BDBM93373
PNG
(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)
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n/an/a 779n/an/an/an/an/an/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))
BDBM93360
PNG
(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)
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n/an/a 964n/an/an/an/an/an/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))
BDBM93387
PNG
(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
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n/an/a 971n/an/an/an/an/an/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))
BDBM93365
PNG
(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)
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n/an/a 983n/an/an/an/an/an/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))
BDBM93383
PNG
(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)
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n/an/a 1.00E+3n/an/an/an/an/an/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
PNG
(PSTQ Analog, 9)
Show SMILES CCSc1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
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
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n/an/a 1.05E+3n/an/an/an/an/an/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))
BDBM93389
PNG
(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
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n/an/a 1.20E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.31E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.37E+3n/an/an/an/an/an/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
PNG
(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)
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n/an/a 1.43E+3n/an/an/an/an/an/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
PNG
(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)
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n/an/a 1.46E+3n/an/an/an/an/an/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
PNG
(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)
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n/an/a 1.48E+3n/an/an/an/an/an/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
PNG
(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)
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n/an/a 1.80E+3n/an/an/an/an/an/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
PNG
(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)
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n/an/a 2.01E+3n/an/an/an/an/an/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
PNG
(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)
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n/an/a 2.18E+3n/an/an/an/an/an/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
PNG
(PSTQ Analog, 8)
Show SMILES O=S(=O)(c1nnn2c1ncc1ccccc21)c1ccccc1
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
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n/an/a 5.74E+3n/an/an/an/an/an/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
* indicates data uncertainty>20%