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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50016844   
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))
BDBM50174274
PNG
(4-(4-(piperazin-1-yl)-1H-indol-1-ylsulfonyl)benzen...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13,19H2
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0.400n/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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174269
PNG
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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1n/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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174270
PNG
(1-(4-aminophenylsulfonyl)-N4,N6-dimethyl-1H-indole...)
Show SMILES CNc1cc(NC)c2ccn(c2c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H18N4O2S/c1-18-12-9-15(19-2)14-7-8-20(16(14)10-12)23(21,22)13-5-3-11(17)4-6-13/h3-10,18-19H,17H2,1-2H3
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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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174268
PNG
(1-(4-aminophenylsulfonyl)-N-methyl-1H-indol-6-amin...)
Show SMILES CNc1ccc2ccn(c2c1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H15N3O2S/c1-17-13-5-2-11-8-9-18(15(11)10-13)21(19,20)14-6-3-12(16)4-7-14/h2-10,17H,16H2,1H3
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7n/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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM34151
PNG
(CHEMBL372109 | N-arenesulfonylindole antagonist, 1...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-10H,15H2
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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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174272
PNG
(1-(4-aminophenylsulfonyl)-N-methyl-1H-indol-4-amin...)
Show SMILES CNc1cccc2n(ccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H15N3O2S/c1-17-14-3-2-4-15-13(14)9-10-18(15)21(19,20)12-7-5-11(16)6-8-12/h2-10,17H,16H2,1H3
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21n/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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174267
PNG
(CHEMBL198797 | N4,N6-dimethyl-1-(phenylsulfonyl)-1...)
Show SMILES CNc1cc(NC)c2ccn(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17N3O2S/c1-17-12-10-15(18-2)14-8-9-19(16(14)11-12)22(20,21)13-6-4-3-5-7-13/h3-11,17-18H,1-2H3
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26n/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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174273
PNG
(4-(4,6-dinitro-1H-indol-1-ylsulfonyl)benzenamine |...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1ccc2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S/c15-9-1-3-11(4-2-9)25(23,24)16-6-5-12-13(16)7-10(17(19)20)8-14(12)18(21)22/h1-8H,15H2
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980n/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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174271
PNG
(4-(piperazin-1-yl)-1H-indole | CHEMBL200234)
Show SMILES C1CN(CCN1)c1cccc2[nH]ccc12
Show InChI InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
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2.70E+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 15: 5298-302 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.059
BindingDB Entry DOI: 10.7270/Q2ZW1KGZ
More data for this
Ligand-Target Pair