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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'nyandege' and Initial = 'a'   
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))
BDBM50130275
PNG
(4-(3-(2-(dimethylamino)ethyl)-1H-indol-1-ylsulfony...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203141
PNG
(CHEMBL393886 | N,N-dimethyl(9-(phenylsulfonyl)-2,3...)
Show SMILES CN(C)CC1CCCc2c1c1ccccc1n2S(=O)(=O)c1ccccc1 |w:4.3|
Show InChI InChI=1S/C21H24N2O2S/c1-22(2)15-16-9-8-14-20-21(16)18-12-6-7-13-19(18)23(20)26(24,25)17-10-4-3-5-11-17/h3-7,10-13,16H,8-9,14-15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203128
PNG
(CHEMBL247673 | N,N-dimethyl-2-(1-(4-(trifluorometh...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O2S/c1-23(2)12-11-14-13-24(18-6-4-3-5-17(14)18)27(25,26)16-9-7-15(8-10-16)19(20,21)22/h3-10,13H,11-12H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203140
PNG
(CHEMBL248071 | N,N-dimethyl-2-(1-tosyl-1H-indol-3-...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H22N2O2S/c1-15-8-10-17(11-9-15)24(22,23)21-14-16(12-13-20(2)3)18-6-4-5-7-19(18)21/h4-11,14H,12-13H2,1-3H3
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50164758
PNG
(2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine ...)
Show SMILES CN(C)CCc1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-20(2)13-12-17-15-21(14-16-8-4-3-5-9-16)19-11-7-6-10-18(17)19/h3-11,15H,12-14H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203145
PNG
(2-(1-(4-methoxyphenylsulfonyl)-1H-indol-3-yl)-N,N-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(CCN(C)C)c2ccccc12
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)13-12-15-14-21(19-7-5-4-6-18(15)19)25(22,23)17-10-8-16(24-3)9-11-17/h4-11,14H,12-13H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203133
PNG
(2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N,N-dimethyle...)
Show SMILES CN(C)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C19H21ClN2/c1-21(2)12-11-16-14-22(19-6-4-3-5-18(16)19)13-15-7-9-17(20)10-8-15/h3-10,14H,11-13H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203143
PNG
(CHEMBL395465 | dimethyl-{2-[1-(4-methyl-benzyl)-1H...)
Show SMILES CN(C)CCc1cn(Cc2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C20H24N2/c1-16-8-10-17(11-9-16)14-22-15-18(12-13-21(2)3)19-6-4-5-7-20(19)22/h4-11,15H,12-14H2,1-3H3
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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203139
PNG
(4-(1,2,3,4-Tetrahydro-carbazole-9-sulfonyl)-phenyl...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c19-13-9-11-14(12-10-13)23(21,22)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1,3,5,7,9-12H,2,4,6,8,19H2
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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203142
PNG
(4-((3-(2-(dimethylamino)ethyl)-1H-indol-1-yl)methy...)
Show SMILES CN(C)CCc1cn(Cc2ccc(N)cc2)c2ccccc12
Show InChI InChI=1S/C19H23N3/c1-21(2)12-11-16-14-22(19-6-4-3-5-18(16)19)13-15-7-9-17(20)10-8-15/h3-10,14H,11-13,20H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203136
PNG
(2-(1-(4-chlorophenylsulfonyl)-1H-indol-3-yl)-N,N-d...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12H2,1-2H3
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94n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203144
PNG
(2-(1-(4-methoxybenzyl)-1H-indol-3-yl)-N,N-dimethyl...)
Show SMILES COc1ccc(Cn2cc(CCN(C)C)c3ccccc23)cc1
Show InChI InChI=1S/C20H24N2O/c1-21(2)13-12-17-15-22(20-7-5-4-6-19(17)20)14-16-8-10-18(23-3)11-9-16/h4-11,15H,12-14H2,1-3H3
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132n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203129
PNG
(2-(1-(butylsulfonyl)-1H-indol-3-yl)-N,N-dimethylet...)
Show SMILES CCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc12
Show InChI InChI=1S/C16H24N2O2S/c1-4-5-12-21(19,20)18-13-14(10-11-17(2)3)15-8-6-7-9-16(15)18/h6-9,13H,4-5,10-12H2,1-3H3
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135n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50143488
PNG
((9-Benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethy...)
Show SMILES CN(C)CC1CCCc2c1c1ccccc1n2Cc1ccccc1
Show InChI InChI=1S/C22H26N2/c1-23(2)16-18-11-8-14-21-22(18)19-12-6-7-13-20(19)24(21)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,8,11,14-16H2,1-2H3
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136n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203127
PNG
(2-(1-(cyclohexylsulfonyl)-1H-indol-3-yl)-N,N-dimet...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C18H26N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3
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210n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203131
PNG
(CHEMBL248268 | N,N-dimethyl-2-(1-(pentylsulfonyl)-...)
Show SMILES CCCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc12
Show InChI InChI=1S/C17H26N2O2S/c1-4-5-8-13-22(20,21)19-14-15(11-12-18(2)3)16-9-6-7-10-17(16)19/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
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220n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203135
PNG
(CHEMBL245806 | N,N-dimethyl-2-(1-(propylsulfonyl)-...)
Show SMILES CCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc12
Show InChI InChI=1S/C15H22N2O2S/c1-4-11-20(18,19)17-12-13(9-10-16(2)3)14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3
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280n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203138
PNG
(CHEMBL247871 | N,N-dimethyl-2-(1-(octylsulfonyl)-1...)
Show SMILES CCCCCCCCS(=O)(=O)n1cc(CCN(C)C)c2ccccc12
Show InChI InChI=1S/C20H32N2O2S/c1-4-5-6-7-8-11-16-25(23,24)22-17-18(14-15-21(2)3)19-12-9-10-13-20(19)22/h9-10,12-13,17H,4-8,11,14-16H2,1-3H3
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440n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203137
PNG
(2-(1-(4-(trifluoromethyl)benzyl)-1H-indol-3-yl)-N,...)
Show SMILES CN(C)CCc1cn(Cc2ccc(cc2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C20H21F3N2/c1-24(2)12-11-16-14-25(19-6-4-3-5-18(16)19)13-15-7-9-17(10-8-15)20(21,22)23/h3-10,14H,11-13H2,1-2H3
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445n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203130
PNG
(2-(1-(isopropylsulfonyl)-1H-indol-3-yl)-N,N-dimeth...)
Show SMILES CC(C)S(=O)(=O)n1cc(CCN(C)C)c2ccccc12
Show InChI InChI=1S/C15H22N2O2S/c1-12(2)20(18,19)17-11-13(9-10-16(3)4)14-7-5-6-8-15(14)17/h5-8,11-12H,9-10H2,1-4H3
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590n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203134
PNG
(4-((5,6,7,8-tetrahydrocarbazol-9-yl)methyl)benzena...)
Show SMILES Nc1ccc(Cn2c3CCCCc3c3ccccc23)cc1
Show InChI InChI=1S/C19H20N2/c20-15-11-9-14(10-12-15)13-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1,3,5,7,9-12H,2,4,6,8,13,20H2
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6.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50203132
PNG
(4-((1H-indol-1-yl)methyl)benzenamine | CHEMBL24728...)
Show SMILES Nc1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C15H14N2/c16-14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-10H,11,16H2
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8.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 1691-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.089
BindingDB Entry DOI: 10.7270/Q2V69J82
More data for this
Ligand-Target Pair