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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50033458   
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))
BDBM50345760
PNG
(1-(Benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-i...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
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2.52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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2.56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345758
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(piperazin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H19ClFN3O2S/c20-18-13-24(27(25,26)16-4-2-15(21)3-5-16)19-6-1-14(11-17(18)19)12-23-9-7-22-8-10-23/h1-6,11,13,22H,7-10,12H2
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2.58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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2.97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345763
PNG
(1-(4-Chloro benzenesulfonyl)-5-(4-methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)15-16-2-7-20-17(14-16)8-9-24(20)27(25,26)19-5-3-18(21)4-6-19/h2-9,14H,10-13,15H2,1H3
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3.02n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345762
PNG
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22F3N3O2S/c1-25-9-11-26(12-10-25)15-16-5-6-20-17(13-16)7-8-27(20)30(28,29)19-4-2-3-18(14-19)21(22,23)24/h2-8,13-14H,9-12,15H2,1H3
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3.15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345772
PNG
(1-(4-Fluoro benzenesulfonyl)-5-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
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3.21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345753
PNG
(3-Chloro-1-(2,4-difluorobenzenesulfonyl)-5-(4-meth...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3
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3.36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345769
PNG
(1-Benzenesulfonyl-5-(4-methylpiperazin-1-yl-methyl...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-11-13-22(14-12-21)16-17-7-8-20-18(15-17)9-10-23(20)26(24,25)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
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3.83n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345756
PNG
(1-(2-Chloro-5-trifluoromethyl benzenesulfonyl)-3-c...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)CC1
Show InChI InChI=1S/C21H20Cl2F3N3O2S/c1-27-6-8-28(9-7-27)12-14-2-5-19-16(10-14)18(23)13-29(19)32(30,31)20-11-15(21(24,25)26)3-4-17(20)22/h2-5,10-11,13H,6-9,12H2,1H3
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4.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345776
PNG
(1-(2,3-Dichlorobenzenesulfonyl)-5-(4-ethylpiperazi...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H23Cl2N3O2S/c1-2-24-10-12-25(13-11-24)15-16-6-7-19-17(14-16)8-9-26(19)29(27,28)20-5-3-4-18(22)21(20)23/h3-9,14H,2,10-13,15H2,1H3
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5.52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345757
PNG
(3-Chloro-1-(2,4-difluoro benzenesulfonyl)-5-(piper...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H18ClF2N3O2S/c20-16-12-25(28(26,27)19-4-2-14(21)10-17(19)22)18-3-1-13(9-15(16)18)11-24-7-5-23-6-8-24/h1-4,9-10,12,23H,5-8,11H2
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5.57n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345775
PNG
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-ethylpi...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H24F3N3O2S/c1-2-26-10-12-27(13-11-26)16-17-6-7-21-18(14-17)8-9-28(21)31(29,30)20-5-3-4-19(15-20)22(23,24)25/h3-9,14-15H,2,10-13,16H2,1H3
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5.72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345774
PNG
(1-(4-Isopropyl benzenesulfonyl)-5-(4-ethylpiperazi...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(cc2)C(C)C)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-4-25-13-15-26(16-14-25)18-20-5-10-24-22(17-20)11-12-27(24)30(28,29)23-8-6-21(7-9-23)19(2)3/h5-12,17,19H,4,13-16,18H2,1-3H3
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5.81n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345761
PNG
(1-(2-Bromo benzenesulfonyl)-5-(piperazin-1-yl-meth...)
Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H20BrN3O2S/c20-17-3-1-2-4-19(17)26(24,25)23-10-7-16-13-15(5-6-18(16)23)14-22-11-8-21-9-12-22/h1-7,10,13,21H,8-9,11-12,14H2
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7.77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345765
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-methylpiperazin-1...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-10-12-23(13-11-22)15-16-6-7-19-17(14-16)8-9-24(19)27(25,26)20-5-3-2-4-18(20)21/h2-9,14H,10-13,15H2,1H3
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8.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345755
PNG
(1-(4-Chlorobenzenesulfonyl)-3-chloro-5-(4-methyl p...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(22)14-25(20)28(26,27)17-5-3-16(21)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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9.33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345773
PNG
(1-(4-Methyl benzenesulfonyl)-5-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-3-23-12-14-24(15-13-23)17-19-6-9-22-20(16-19)10-11-25(22)28(26,27)21-7-4-18(2)5-8-21/h4-11,16H,3,12-15,17H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345766
PNG
(1-(2-Chloro-5-trifluoromethyl benzenesulfonyl)-5-(...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21ClF3N3O2S/c1-26-8-10-27(11-9-26)14-15-2-5-19-16(12-15)6-7-28(19)31(29,30)20-13-17(21(23,24)25)3-4-18(20)22/h2-7,12-13H,8-11,14H2,1H3
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11.3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345771
PNG
(1-(2,4-Difluoro benzenesulfonyl)-5-(4-ethylpiperaz...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2F)CC1
Show InChI InChI=1S/C21H23F2N3O2S/c1-2-24-9-11-25(12-10-24)15-16-3-5-20-17(13-16)7-8-26(20)29(27,28)21-6-4-18(22)14-19(21)23/h3-8,13-14H,2,9-12,15H2,1H3
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12.4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345768
PNG
(1-(4-Fluoro benzenesulfonyl)-5-(4-methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H22FN3O2S/c1-22-10-12-23(13-11-22)15-16-2-7-20-17(14-16)8-9-24(20)27(25,26)19-5-3-18(21)4-6-19/h2-9,14H,10-13,15H2,1H3
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14.6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345759
PNG
(1-(4-Isopropyl benzenesulfonyl)-5-(piperazin-1-yl-...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1ccc2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)19-4-6-21(7-5-19)28(26,27)25-12-9-20-15-18(3-8-22(20)25)16-24-13-10-23-11-14-24/h3-9,12,15,17,23H,10-11,13-14,16H2,1-2H3
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14.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345767
PNG
(1-[4-(Isopropyl benzenesulfonyl)]-5-(4-methylpiper...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1ccc2cc(CN3CCN(C)CC3)ccc12
Show InChI InChI=1S/C23H29N3O2S/c1-18(2)20-5-7-22(8-6-20)29(27,28)26-11-10-21-16-19(4-9-23(21)26)17-25-14-12-24(3)13-15-25/h4-11,16,18H,12-15,17H2,1-3H3
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17.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345764
PNG
(1-(2,3-Dichloro benzenesulfonyl)-5-(4-methylpipera...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-23-9-11-24(12-10-23)14-15-5-6-18-16(13-15)7-8-25(18)28(26,27)19-4-2-3-17(21)20(19)22/h2-8,13H,9-12,14H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345770
PNG
(1-(4-Chloro benzenesulfonyl)-5-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
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28.2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345751
PNG
(1-benzyl-5-(4-ethylpiperazin-1-yl-methyl)-1H-indol...)
Show SMILES CCN1CCN(Cc2ccc3n(Cc4ccccc4)ccc3c2)CC1
Show InChI InChI=1S/C22H27N3/c1-2-23-12-14-24(15-13-23)17-20-8-9-22-21(16-20)10-11-25(22)18-19-6-4-3-5-7-19/h3-11,16H,2,12-15,17-18H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50345752
PNG
(1-Benzoyl-5-(4-methylpiperazin-1-yl-methyl)-1H-ind...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H23N3O/c1-22-11-13-23(14-12-22)16-17-7-8-20-19(15-17)9-10-24(20)21(25)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M1 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M1 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 5HT7 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 5HT7 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 5HT4 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human 5HT4 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair