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PubMed code 15990303

Compile data set for download or QSAR
Found 16 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169599
PNG
(1-Benzenesulfonyl-3-((R)-1-methyl-pyrrolidin-2-ylm...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169601
PNG
(1-Benzenesulfonyl-3-((S)-1-methyl-pyrrolidin-2-ylm...)
Show SMILES CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(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
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169602
PNG
(1-Benzenesulfonyl-3-(R)-1-pyrrolidin-2-ylmethyl-1H...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C[C@H]2CCCN2)c2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-24(23,17-8-2-1-3-9-17)21-14-15(13-16-7-6-12-20-16)18-10-4-5-11-19(18)21/h1-5,8-11,14,16,20H,6-7,12-13H2/t16-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169604
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...)
Show SMILES CN1CCC[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H18N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,6-7,10,12,15H,4-5,8-9H2,1H3/t12-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169597
PNG
(3-Benzyl-1-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)
Show SMILES CN1CCC[C@@H]1Cn1cc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2/c1-22-13-7-10-19(22)16-23-15-18(14-17-8-3-2-4-9-17)20-11-5-6-12-21(20)23/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3/t19-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169595
PNG
(3-Benzyl-1-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)
Show SMILES CN1CCC[C@H]1Cn1cc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2/c1-22-13-7-10-19(22)16-23-15-18(14-17-8-3-2-4-9-17)20-11-5-6-12-21(20)23/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3/t19-/m0/s1
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29n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50164759
PNG
(CHEMBL186621 | [2-(3-Benzyl-indol-1-yl)-ethyl]-dim...)
Show SMILES CN(C)CCn1cc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H22N2/c1-20(2)12-13-21-15-17(14-16-8-4-3-5-9-16)18-10-6-7-11-19(18)21/h3-11,15H,12-14H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169598
PNG
(1-Benzenesulfonyl-3-(S)-1-pyrrolidin-2-ylmethyl-1H...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C[C@@H]2CCCN2)c2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-24(23,17-8-2-1-3-9-17)21-14-15(13-16-7-6-12-20-16)18-10-4-5-11-19(18)21/h1-5,8-11,14,16,20H,6-7,12-13H2/t16-/m0/s1
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46n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169603
PNG
(3-(R)-1-Pyrrolidin-2-ylmethyl-1H-indole; hydrochlo...)
Show SMILES C([C@H]1CCCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-6-13-12(5-1)10(9-15-13)8-11-4-3-7-14-11/h1-2,5-6,9,11,14-15H,3-4,7-8H2/t11-/m1/s1
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169605
PNG
(1-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...)
Show SMILES CN1CCC[C@@H]1Cn1ccc2ccccc12
Show InChI InChI=1S/C14H18N2/c1-15-9-4-6-13(15)11-16-10-8-12-5-2-3-7-14(12)16/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3/t13-/m1/s1
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550n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169600
PNG
(3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H18N2/c1-16-8-4-5-12(16)9-11-10-15-14-7-3-2-6-13(11)14/h2-3,6-7,10,12,15H,4-5,8-9H2,1H3/t12-/m1/s1
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640n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169596
PNG
(3-(S)-1-Pyrrolidin-2-ylmethyl-1H-indole; hydrochlo...)
Show SMILES C([C@@H]1CCCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-6-13-12(5-1)10(9-15-13)8-11-4-3-7-14-11/h1-2,5-6,9,11,14-15H,3-4,7-8H2/t11-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50169594
PNG
(1-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indole; ...)
Show SMILES CN1CCC[C@H]1Cn1ccc2ccccc12
Show InChI InChI=1S/C14H18N2/c1-15-9-4-6-13(15)11-16-10-8-12-5-2-3-7-14(12)16/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3/t13-/m0/s1
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8.75E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3510-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.092
BindingDB Entry DOI: 10.7270/Q20Z7411
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%