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Compile Data Set for Download or QSAR

Found 967 hits with Last Name = 'bernotas' and Initial = 'r'   
Target
(Institution)
LigandTarget
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 (5-HT6)


(Homo sapiens (human))
BDBM50159192
PNG
(4-Iodo-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(I)cc3)cc12
Show InChI InChI=1S/C20H22IN3O2S/c1-24-10-2-3-17(24)11-14-13-22-20-9-6-16(12-19(14)20)23-27(25,26)18-7-4-15(21)5-8-18/h4-9,12-13,17,22-23H,2-3,10-11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300820
PNG
(CHEMBL565723 | N-(2-{3-[(3-Chlorophenyl)sulfonyl]-...)
Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H16ClN3O2S/c1-18-8-9-20-11-15(14-6-3-7-19-16(14)20)23(21,22)13-5-2-4-12(17)10-13/h2-7,10-11,18H,8-9H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159187
PNG
(3-Chloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
Show InChI InChI=1S/C20H22ClN3O2S/c1-24-9-3-5-17(24)10-14-13-22-20-8-7-16(12-19(14)20)23-27(25,26)18-6-2-4-15(21)11-18/h2,4,6-8,11-13,17,22-23H,3,5,9-10H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM34145
PNG
(pyrrolidinylindole, (R)-5b)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-10-2-3-17(27)11-14-13-25-20-9-6-16(12-19(14)20)26-30(28,29)18-7-4-15(5-8-18)21(22,23)24/h4-9,12-13,17,25-26H,2-3,10-11H2,1H3/t17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217922
PNG
(3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfon...)
Show SMILES CCN1CCCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl
Show InChI InChI=1S/C19H22ClN5O2S2/c1-2-23-8-4-5-13(11-23)25-12-15(14-6-3-7-21-17(14)25)29(26,27)18-16(20)22-19-24(18)9-10-28-19/h3,6-7,9-10,12-13,18-19H,2,4-5,8,11H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217902
PNG
(3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfon...)
Show SMILES ClC1=NC2SC=CN2C1S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12
Show InChI InChI=1S/C17H18ClN5O2S2/c18-14-16(22-7-8-26-17(22)21-14)27(24,25)13-10-23(11-3-1-5-19-9-11)15-12(13)4-2-6-20-15/h2,4,6-8,10-11,16-17,19H,1,3,5,9H2
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0.700n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217909
PNG
(3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-(...)
Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl
Show InChI InChI=1S/C17H18ClN5O2S2/c1-21-6-4-11(9-21)23-10-13(12-3-2-5-19-15(12)23)27(24,25)16-14(18)20-17-22(16)7-8-26-17/h2-3,5,7-8,10-11,16-17H,4,6,9H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300845
PNG
(CHEMBL565746 | N-(2-{3-[(6-Chloroimidazo[2,1-b][1,...)
Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C15H14ClN5O2S2/c1-17-5-6-20-9-11(10-3-2-4-18-13(10)20)25(22,23)14-12(16)19-15-21(14)7-8-24-15/h2-4,7-9,17H,5-6H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300842
PNG
(CHEMBL565724 | N-(2-{3-[(6-Chloroimidazo[2,1-b][1,...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1c(Cl)nc2sccn12
Show InChI InChI=1S/C16H16ClN5O2S2/c1-20(2)6-7-21-10-12(11-4-3-5-18-14(11)21)26(23,24)15-13(17)19-16-22(15)8-9-25-16/h3-5,8-10H,6-7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330507
PNG
(5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-...)
Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H22N4O2S/c1-14-4-3-5-16(12-14)26(24,25)19-17-13-15(6-7-18(17)20-21-19)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
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0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217891
PNG
(3-(3-bromo-benzenesulfonyl)-1-(1-methyl-pyrrolidin...)
Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H18BrN3O2S/c1-21-9-7-14(11-21)22-12-17(16-6-3-8-20-18(16)22)25(23,24)15-5-2-4-13(19)10-15/h2-6,8,10,12,14H,7,9,11H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159178
PNG
(4-Methyl-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
Show InChI InChI=1S/C21H25N3O2S/c1-15-5-8-19(9-6-15)27(25,26)23-17-7-10-21-20(13-17)16(14-22-21)12-18-4-3-11-24(18)2/h5-10,13-14,18,22-23H,3-4,11-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159195
PNG
(Naphthalene-2-sulfonic acid [3-((R)-1-methyl-pyrro...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159195
PNG
(Naphthalene-2-sulfonic acid [3-((R)-1-methyl-pyrro...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
Show InChI InChI=1S/C24H25N3O2S/c1-27-12-4-7-21(27)13-19-16-25-24-11-9-20(15-23(19)24)26-30(28,29)22-10-8-17-5-2-3-6-18(17)14-22/h2-3,5-6,8-11,14-16,21,25-26H,4,7,12-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159209
PNG
(3,5-Dimethyl-isoxazole-4-sulfonic acid [3-((R)-1-m...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3c(C)noc3C)cc12
Show InChI InChI=1S/C19H24N4O3S/c1-12-19(13(2)26-21-12)27(24,25)22-15-6-7-18-17(10-15)14(11-20-18)9-16-5-4-8-23(16)3/h6-7,10-11,16,20,22H,4-5,8-9H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159199
PNG
(4-Isopropyl-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-in...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C22H27N3O2S/c1-15(2)16-5-8-20(9-6-16)28(26,27)25-19-7-10-22-21(13-19)17(14-24-22)12-18-4-3-11-23-18/h5-10,13-15,18,23-25H,3-4,11-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159188
PNG
(4-Methoxy-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3C)c2c1
Show InChI InChI=1S/C21H25N3O3S/c1-24-11-3-4-17(24)12-15-14-22-21-10-5-16(13-20(15)21)23-28(25,26)19-8-6-18(27-2)7-9-19/h5-10,13-14,17,22-23H,3-4,11-12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159182
PNG
(4-Isopropyl-N-[3-((R)-1-methyl-pyrrolidin-2-ylmeth...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3C)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-16(2)17-6-9-21(10-7-17)29(27,28)25-19-8-11-23-22(14-19)18(15-24-23)13-20-5-4-12-26(20)3/h6-11,14-16,20,24-25H,4-5,12-13H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159203
PNG
(4-Iodo-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol-5...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20IN3O2S/c20-14-3-6-17(7-4-14)26(24,25)23-16-5-8-19-18(11-16)13(12-22-19)10-15-2-1-9-21-15/h3-8,11-12,15,21-23H,1-2,9-10H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM21351
PNG
(4-{[3-(2-aminoethyl)-1H-indole-1-]sulfonyl}aniline...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C16H17N3O2S/c17-10-9-12-11-19(16-4-2-1-3-15(12)16)22(20,21)14-7-5-13(18)6-8-14/h1-8,11H,9-10,17-18H2
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1 -50.9n/an/a 91n/an/a7.422



Wyeth Research



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 5535-8 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159180
PNG
(2-Chloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C20H22ClN3O2S/c1-24-10-4-5-16(24)11-14-13-22-19-9-8-15(12-17(14)19)23-27(25,26)20-7-3-2-6-18(20)21/h2-3,6-9,12-13,16,22-23H,4-5,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330538
PNG
(3-(3-Chlorophenylsulfonyl)-5-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H19ClN4O2S/c1-22-7-9-23(10-8-22)14-5-6-17-16(12-14)18(21-20-17)26(24,25)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3,(H,20,21)
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159194
PNG
(4-Fluoro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C20H22FN3O2S/c1-24-10-2-3-17(24)11-14-13-22-20-9-6-16(12-19(14)20)23-27(25,26)18-7-4-15(21)5-8-18/h4-9,12-13,17,22-23H,2-3,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159208
PNG
(3,4-Dichloro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmet...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-25-8-2-3-15(25)9-13-12-23-20-7-4-14(10-17(13)20)24-28(26,27)16-5-6-18(21)19(22)11-16/h4-7,10-12,15,23-24H,2-3,8-9H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159202
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159207
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C20H23N3O2S/c1-23-11-5-6-17(23)12-15-14-21-20-10-9-16(13-19(15)20)22-26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17,21-22H,5-6,11-12H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217904
PNG
(3-(5-chloro-thiophene-2-sulfonyl)-1-pyrrolidin-3-y...)
Show SMILES Clc1ccc(CS(=O)(=O)c2cn(C3CCNC3)c3ncccc23)s1
Show InChI InChI=1S/C16H16ClN3O2S2/c17-15-4-3-12(23-15)10-24(21,22)14-9-20(11-5-7-18-8-11)16-13(14)2-1-6-19-16/h1-4,6,9,11,18H,5,7-8,10H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159201
PNG
(2-Fluoro-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3F)cc12
Show InChI InChI=1S/C20H22FN3O2S/c1-24-10-4-5-16(24)11-14-13-22-19-9-8-15(12-17(14)19)23-27(25,26)20-7-3-2-6-18(20)21/h2-3,6-9,12-13,16,22-23H,4-5,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217900
PNG
(3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-p...)
Show SMILES ClC1=NC2SC=CN2C1S(=O)(=O)c1cn(C2CCNC2)c2ncccc12
Show InChI InChI=1S/C16H16ClN5O2S2/c17-13-15(21-6-7-25-16(21)20-13)26(23,24)12-9-22(10-3-5-18-8-10)14-11(12)2-1-4-19-14/h1-2,4,6-7,9-10,15-16,18H,3,5,8H2
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300843
PNG
(CHEMBL565976 | N-(2-{3-[(3-Fluorophenyl)sulfonyl]-...)
Show SMILES CNCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3O2S/c1-18-8-9-20-11-15(14-6-3-7-19-16(14)20)23(21,22)13-5-2-4-12(17)10-13/h2-7,10-11,18H,8-9H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300838
PNG
(CHEMBL565552 | N,N-Dimethyl-N-{2-[3-(1-naphthylsul...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H21N3O2S/c1-23(2)13-14-24-15-20(18-10-6-12-22-21(18)24)27(25,26)19-11-5-8-16-7-3-4-9-17(16)19/h3-12,15H,13-14H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330512
PNG
(3-(Naphthalen-1-ylsulfonyl)-5-(piperazin-1-yl)-1H-...)
Show SMILES O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24)
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1.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330505
PNG
(3-(3-Methoxyphenylsulfonyl)-5-(4-methylpiperazin-1...)
Show SMILES COc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-22-8-10-23(11-9-22)14-6-7-18-17(12-14)19(21-20-18)27(24,25)16-5-3-4-15(13-16)26-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
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1.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217883
PNG
(3-[(5-chlorothien-2-yl)sulfonyl]-1-piperidin-3-yl-...)
Show SMILES Clc1ccc(s1)S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12
Show InChI InChI=1S/C16H16ClN3O2S2/c17-14-5-6-15(23-14)24(21,22)13-10-20(11-3-1-7-18-9-11)16-12(13)4-2-8-19-16/h2,4-6,8,10-11,18H,1,3,7,9H2
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1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217916
PNG
(3-[(3-chlorophenyl)sulfonyl]-1-piperidin-3-yl-1Hpy...)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1cn(C2CCCNC2)c2ncccc12
Show InChI InChI=1S/C18H18ClN3O2S/c19-13-4-1-6-15(10-13)25(23,24)17-12-22(14-5-2-8-20-11-14)18-16(17)7-3-9-21-18/h1,3-4,6-7,9-10,12,14,20H,2,5,8,11H2
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1.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217920
PNG
(3-(3-bromo-benzenesulfonyl)-1-pyrrolidin-3-yl-1Hpy...)
Show SMILES Brc1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12
Show InChI InChI=1S/C17H16BrN3O2S/c18-12-3-1-4-14(9-12)24(22,23)16-11-21(13-6-8-19-10-13)17-15(16)5-2-7-20-17/h1-5,7,9,11,13,19H,6,8,10H2
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1.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217893
PNG
(1-pyrrolidin-3-yl-3-(3-trifluoromethyl-benzenesulf...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12
Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-4-14(9-12)27(25,26)16-11-24(13-6-8-22-10-13)17-15(16)5-2-7-23-17/h1-5,7,9,11,13,22H,6,8,10H2
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1.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50313121
PNG
(3-(3-chlorophenylsulfonyl)-1-(1-methylpyrrolidin-3...)
Show SMILES CN1CCC(C1)n1cc(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN2O2S/c1-21-10-9-15(12-21)22-13-19(17-7-2-3-8-18(17)22)25(23,24)16-6-4-5-14(20)11-16/h2-8,11,13,15H,9-10,12H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs


Bioorg Med Chem Lett 20: 1657-60 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217925
PNG
(3-(3-fluoro-benzenesulfonyl)-1-(1-methyl-pyrrolidi...)
Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H18FN3O2S/c1-21-9-7-14(11-21)22-12-17(16-6-3-8-20-18(16)22)25(23,24)15-5-2-4-13(19)10-15/h2-6,8,10,12,14H,7,9,11H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217928
PNG
(3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-(...)
Show SMILES CCN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)C1N2C=CSC2N=C1Cl
Show InChI InChI=1S/C18H20ClN5O2S2/c1-2-22-7-5-12(10-22)24-11-14(13-4-3-6-20-16(13)24)28(25,26)17-15(19)21-18-23(17)8-9-27-18/h3-4,6,8-9,11-12,17-18H,2,5,7,10H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330523
PNG
(1-isobutyl-5-(4-methylpiperazin-1-yl)-3-(naphthale...)
Show SMILES CC(C)Cn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O2S/c1-19(2)18-30-24-12-11-21(29-15-13-28(3)14-16-29)17-23(24)26(27-30)33(31,32)25-10-6-8-20-7-4-5-9-22(20)25/h4-12,17,19H,13-16,18H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217880
PNG
(3-(3-chloro-benzenesulfonyl)-1-pyrrolidin-3-yl-1Hp...)
Show SMILES Clc1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12
Show InChI InChI=1S/C17H16ClN3O2S/c18-12-3-1-4-14(9-12)24(22,23)16-11-21(13-6-8-19-10-13)17-15(16)5-2-7-20-17/h1-5,7,9,11,13,19H,6,8,10H2
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1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50313125
PNG
(8-(1-(pyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quino...)
Show SMILES O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C21H19N3O2S/c25-27(26,19-9-3-5-15-6-4-11-23-21(15)19)20-14-24(16-10-12-22-13-16)18-8-2-1-7-17(18)20/h1-9,11,14,16,22H,10,12-13H2
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1.5n/an/an/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs


Bioorg Med Chem Lett 20: 1657-60 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50217924
PNG
(3-(3-chloro-benzenesulfonyl)-1-(1-methyl-pyrrolidi...)
Show SMILES CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H18ClN3O2S/c1-21-9-7-14(11-21)22-12-17(16-6-3-8-20-18(16)22)25(23,24)15-5-2-4-13(19)10-15/h2-6,8,10,12,14H,7,9,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 15: 6208-26 (2007)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330516
PNG
(1-methyl-3-(naphthalen-1-ylsulfonyl)-5-(piperazin-...)
Show SMILES Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4O2S/c1-25-20-10-9-17(26-13-11-23-12-14-26)15-19(20)22(24-25)29(27,28)21-8-4-6-16-5-2-3-7-18(16)21/h2-10,15,23H,11-14H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330511
PNG
(5-(4-Methylpiperazin-1-yl)-3-(1-naphthalenesulfony...)
Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4O2S/c1-25-11-13-26(14-12-25)17-9-10-20-19(15-17)22(24-23-20)29(27,28)21-8-4-6-16-5-2-3-7-18(16)21/h2-10,15H,11-14H2,1H3,(H,23,24)
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1.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300839
PNG
(2-[3-(1-Naphthylsulfonyl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H17N3O2S/c20-10-12-22-13-18(16-8-4-11-21-19(16)22)25(23,24)17-9-3-6-14-5-1-2-7-15(14)17/h1-9,11,13H,10,12,20H2
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1.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330515
PNG
(1-methyl-5-(4-methylpiperazin-1-yl)-3-(naphthalen-...)
Show SMILES CN1CCN(CC1)c1ccc2n(C)nc(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c1-25-12-14-27(15-13-25)18-10-11-21-20(16-18)23(24-26(21)2)30(28,29)22-9-5-7-17-6-3-4-8-19(17)22/h3-11,16H,12-15H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50330517
PNG
(1-ethyl-5-(4-methylpiperazin-1-yl)-3-(naphthalen-1...)
Show SMILES CCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H26N4O2S/c1-3-28-22-12-11-19(27-15-13-26(2)14-16-27)17-21(22)24(25-28)31(29,30)23-10-6-8-18-7-4-5-9-20(18)23/h4-12,17H,3,13-16H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 53: 7639-46 (2010)

More data for this
Ligand-Target Pair
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