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Compile Data Set for Download or QSAR

Found 6817 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' AND taxid = 9606   
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 4 (5-HT4)


(Homo sapiens (Human))
BDBM50399614
PNG
(CHEMBL2181170)
Show SMILES CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
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0.0398n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50399614
PNG
(CHEMBL2181170)
Show SMILES CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
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0.0400n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50044610
PNG
(CHEMBL3329438)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)N1CCc2c(C1)cccc2N1CCNCC1
Show InChI InChI=1S/C19H21Cl2N3O2S/c20-16-4-2-6-18(19(16)21)27(25,26)24-10-7-15-14(13-24)3-1-5-17(15)23-11-8-22-9-12-23/h1-6,22H,7-13H2
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0.0400n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166333
PNG
(US9067949, 190)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClNO4S/c1-23-17-9-13(25(21,22)12-4-2-3-11(19)7-12)8-14-15-10-20-6-5-16(15)24-18(14)17/h2-4,7-9,20H,5-6,10H2,1H3
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US Patent
0.0500n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415991
PNG
(CHEMBL1084794)
Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c20-11-14-5-3-4-13-10-15(8-9-16(13)14)24(22,23)19-12-21-18-7-2-1-6-17(18)19/h1-2,6-10,12,14,21H,3-5,11,20H2/t14-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023377
PNG
(CHEMBL3329805)
Show SMILES CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show InChI InChI=1S/C29H38N4O4S/c1-21(2)20-38(35,36)31-24-10-8-23(9-11-24)19-32-15-12-22(13-16-32)18-30-28(34)27-25-6-3-4-7-26(25)33-14-5-17-37-29(27)33/h3-4,6-11,21-22,31H,5,12-20H2,1-2H3,(H,30,34)
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0.0501n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415975
PNG
(CHEMBL1085462)
Show SMILES CN(C)CC1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H23NO2S/c1-20(2)14-16-8-6-7-15-13-18(11-12-19(15)16)23(21,22)17-9-4-3-5-10-17/h3-5,9-13,16H,6-8,14H2,1-2H3
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0.0631n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0780n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4D receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415981
PNG
(CHEMBL1086326)
Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FNO2S/c18-14-5-2-6-15(10-14)22(20,21)16-7-8-17-12(9-16)3-1-4-13(17)11-19/h2,5-10,13H,1,3-4,11,19H2/t13-/m0/s1
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0.0794n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398985
PNG
(CHEMBL2177130)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H32N4O/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,26,30)
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0.0794n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023365
PNG
(CHEMBL3329814)
Show SMILES OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1/C21H28N2O5/c24-13-16(25)12-22-9-6-15(7-10-22)14-28-21(26)19-17-4-1-2-5-18(17)23-8-3-11-27-20(19)23/h1-2,4-5,15-16,24-25H,3,6-14H2
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0.0794n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166213
PNG
(US9067949, 70)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C20H18N2O4S/c1-25-19-10-14(9-15-16-11-21-6-5-18(16)26-20(15)19)27(23,24)13-2-3-17-12(8-13)4-7-22-17/h2-4,7-10,21-22H,5-6,11H2,1H3
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US Patent
0.0830n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50318625
PNG
(CHEMBL1083654 | N-Methyl-(3-phenylsulfonyl)-7,8-di...)
Show SMILES CNc1nn2c3CCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N4O2S/c1-17-15-14(23(21,22)12-7-3-2-4-8-12)16-18-10-11-6-5-9-13(11)20(16)19-15/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,19)
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0.0880n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416028
PNG
(CHEMBL1085658)
Show SMILES OC1CN(C[C@@H]2CCCc3cc(ccc23)S(=O)(=O)c2cccc(F)c2)C1
Show InChI InChI=1S/C20H22FNO3S/c21-16-5-2-6-18(10-16)26(24,25)19-7-8-20-14(9-19)3-1-4-15(20)11-22-12-17(23)13-22/h2,5-10,15,17,23H,1,3-4,11-13H2/t15-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50018051
PNG
(CHEMBL3289972)
Show SMILES Fc1ccc(cc1Cl)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H24ClFN4O3S/c22-18-15-16(7-8-19(18)23)31(28,29)24-9-3-4-10-26-11-13-27(14-12-26)21-17-5-1-2-6-20(17)30-25-21/h1-2,5-8,15,24H,3-4,9-14H2
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0.100n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415993
PNG
(CHEMBL1086252)
Show SMILES NC(=O)CNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2O3S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-22-12-19(21)23/h2,5-10,14,22H,1,3-4,11-12H2,(H2,21,23)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416007
PNG
(CHEMBL1085120)
Show SMILES OCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H20FNO4S/c20-15-5-2-6-16(10-15)26(24,25)17-7-8-18-13(9-17)3-1-4-14(18)11-21-19(23)12-22/h2,5-10,14,22H,1,3-4,11-12H2,(H,21,23)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4E receptor isoform expressed in C6 glial cells incubated with 0.2 nM [3H]-GR-113,...


J Med Chem 43: 3761-9 (2000)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166328
PNG
(US9067949, 185)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C20H17NO4S2/c1-24-17-9-12(8-14-15-10-21-7-6-16(15)25-20(14)17)27(22,23)19-11-26-18-5-3-2-4-13(18)19/h2-5,8-9,11,21H,6-7,10H2,1H3
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US Patent
0.100n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398983
PNG
(CHEMBL2179697)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12
Show InChI InChI=1S/C24H31N5O/c1-18(2)29-22-9-4-3-8-21(22)23(27-29)24(30)26-17-19-10-14-28(15-11-19)16-12-20-7-5-6-13-25-20/h3-9,13,18-19H,10-12,14-17H2,1-2H3,(H,26,30)
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0.100n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50163035
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C21H22ClN3O2S2/c1-13-17-10-15(22)4-7-20(17)28-21(13)29(26,27)24-16-5-6-19-18(11-16)14(12-23-19)8-9-25(2)3/h4-7,10-12,23-24H,8-9H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Laboratorios Dr. Esteve S.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416015
PNG
(CHEMBL1086113)
Show SMILES Oc1c[nH]c(NC[C@@H]2CCCc3cc(ccc23)S(=O)(=O)c2cccc(F)c2)n1
Show InChI InChI=1S/C20H20FN3O3S/c21-15-5-2-6-16(10-15)28(26,27)17-7-8-18-13(9-17)3-1-4-14(18)11-22-20-23-12-19(25)24-20/h2,5-10,12,14,25H,1,3-4,11H2,(H2,22,23,24)/t14-/m0/s1
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PubMed
0.100n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001524
PNG
(CHEMBL24474)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2
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0.110n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166358
PNG
(US9067949, 215)
Show SMILES CCOc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H19NO4S/c1-2-23-18-11-14(25(21,22)13-6-4-3-5-7-13)10-15-16-12-20-9-8-17(16)24-19(15)18/h3-7,10-11,20H,2,8-9,12H2,1H3
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US Patent
0.110n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166303
PNG
(US9067949, 160)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C19H17F2NO5S/c1-25-17-9-13(8-14-15-10-22-6-5-16(15)27-18(14)17)28(23,24)12-4-2-3-11(7-12)26-19(20)21/h2-4,7-9,19,22H,5-6,10H2,1H3
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US Patent
0.110n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166331
PNG
(US9067949, 188)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C18H15ClFNO4S/c1-24-17-8-13(26(22,23)12-5-10(19)4-11(20)6-12)7-14-15-9-21-3-2-16(15)25-18(14)17/h4-8,21H,2-3,9H2,1H3
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US Patent
0.110n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50318626
PNG
(CHEMBL1082763 | N-Methyl-(3-phenylsulfonyl)-6,7,8,...)
Show SMILES CNc1nn2c3CCCCc3cnc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-11-12-7-5-6-10-14(12)21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
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PubMed
0.112n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166197
PNG
(US9067949, 54)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17NO4S/c1-22-17-10-13(24(20,21)12-5-3-2-4-6-12)9-14-15-11-19-8-7-16(15)23-18(14)17/h2-6,9-10,19H,7-8,11H2,1H3
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US Patent
0.120n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416012
PNG
(CHEMBL1084711)
Show SMILES NS(=O)(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H19FN2O4S2/c18-14-5-2-6-15(10-14)25(21,22)16-7-8-17-12(9-16)3-1-4-13(17)11-20-26(19,23)24/h2,5-10,13,20H,1,3-4,11H2,(H2,19,23,24)/t13-/m0/s1
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0.126n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415996
PNG
(CHEMBL1085037)
Show SMILES OCCNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H22FNO3S/c20-16-5-2-6-17(12-16)25(23,24)18-7-8-19-14(11-18)3-1-4-15(19)13-21-9-10-22/h2,5-8,11-12,15,21-22H,1,3-4,9-10,13H2/t15-/m0/s1
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0.126n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416006
PNG
(CHEMBL1083886)
Show SMILES CC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H20FNO3S/c1-13(22)21-12-15-5-2-4-14-10-18(8-9-19(14)15)25(23,24)17-7-3-6-16(20)11-17/h3,6-11,15H,2,4-5,12H2,1H3,(H,21,22)/t15-/m0/s1
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0.126n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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PubMed
0.130n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166244
PNG
(US9067949, 101 | US9067949, 143)
Show SMILES Clc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H15ClN2O3S/c20-16-9-13(8-14-15-10-21-5-4-18(15)25-19(14)16)26(23,24)12-1-2-17-11(7-12)3-6-22-17/h1-3,6-9,21-22H,4-5,10H2
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US Patent
0.130n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001832
PNG
(CHEMBL365569)
Show SMILES O=S(=O)(c1cc2c(cccc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,14-5-2-1-3-6-14)18-13-15-16(20-18)7-4-8-17(15)21-11-9-19-10-12-21/h1-8,13,19-20H,9-12H2
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0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166244
PNG
(US9067949, 101 | US9067949, 143)
Show SMILES Clc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H15ClN2O3S/c20-16-9-13(8-14-15-10-21-5-4-18(15)25-19(14)16)26(23,24)12-1-2-17-11(7-12)3-6-22-17/h1-3,6-9,21-22H,4-5,10H2
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US Patent
0.130n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50001827
PNG
(CHEMBL363792)
Show SMILES CON1CCN(CC1)c1ccc(cc1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H22N2O3S/c1-26-23-15-13-22(14-16-23)18-9-11-19(12-10-18)27(24,25)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166310
PNG
(US9067949, 167)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H16F3NO4S/c1-26-17-9-13(8-14-15-10-23-6-5-16(15)27-18(14)17)28(24,25)12-4-2-3-11(7-12)19(20,21)22/h2-4,7-9,23H,5-6,10H2,1H3
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US Patent
0.130n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50358778
PNG
(CHEMBL1922616)
Show SMILES CNc1nn2c(N)c(Cl)c(C)nc2c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H14ClN5O2S/c1-8-10(15)12(16)20-14(18-8)11(13(17-2)19-20)23(21,22)9-6-4-3-5-7-9/h3-7H,16H2,1-2H3,(H,17,19)
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0.140n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-HT6 receptor expressed in human HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166225
PNG
(US9067949, 81a | US9067949, 82a | US9067949, 82b)
Show SMILES CC1NCCc2oc3c(Cl)cc(cc3c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C18H16ClNO3S/c1-11-17-14-9-13(24(21,22)12-5-3-2-4-6-12)10-15(19)18(14)23-16(17)7-8-20-11/h2-6,9-11,20H,7-8H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415987
PNG
(CHEMBL1085617)
Show SMILES CNC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cc[nH]c1
Show InChI InChI=1S/C16H20N2O2S/c1-17-10-13-4-2-3-12-9-14(5-6-16(12)13)21(19,20)15-7-8-18-11-15/h5-9,11,13,17-18H,2-4,10H2,1H3/t13-/m0/s1
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0.158n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416019
PNG
(CHEMBL1084336)
Show SMILES OCCNC[C@@H]1CCCc2cc(cc(F)c12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H21F2NO3S/c20-15-5-2-6-16(10-15)26(24,25)17-9-13-3-1-4-14(12-22-7-8-23)19(13)18(21)11-17/h2,5-6,9-11,14,22-23H,1,3-4,7-8,12H2/t14-/m0/s1
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0.158n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398981
PNG
(CHEMBL2179699)
Show SMILES CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc12
Show InChI InChI=1S/C25H38N4O/c1-19(2)29-23-11-7-6-10-22(23)24(27-29)25(30)26-18-21-13-16-28(17-14-21)15-12-20-8-4-3-5-9-20/h6-7,10-11,19-21H,3-5,8-9,12-18H2,1-2H3,(H,26,30)
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0.158n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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0.158n/an/an/an/an/an/an/an/a



Angelini Santa Palomba Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415978
PNG
(CHEMBL1086323)
Show SMILES NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H19NO2S/c18-12-14-6-4-5-13-11-16(9-10-17(13)14)21(19,20)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12,18H2/t14-/m0/s1
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0.158n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50415972
PNG
(CHEMBL1086079)
Show SMILES NC(N)=NCC1CCCc2cc(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H21N3O2S/c19-18(20)21-12-14-6-4-5-13-11-16(9-10-17(13)14)24(22,23)15-7-2-1-3-8-15/h1-3,7-11,14H,4-6,12H2,(H4,19,20,21)
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0.158n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50416000
PNG
(CHEMBL1085585)
Show SMILES CNCC(=O)NC[C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C20H23FN2O3S/c1-22-13-20(24)23-12-15-5-2-4-14-10-18(8-9-19(14)15)27(25,26)17-7-3-6-16(21)11-17/h3,6-11,15,22H,2,4-5,12-13H2,1H3,(H,23,24)/t15-/m0/s1
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0.158n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD form human recombinant 5HT6 receptor


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166327
PNG
(US9067949, 184)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1ccc2sccc2c1
Show InChI InChI=1S/C20H17NO4S2/c1-24-18-10-14(9-15-16-11-21-6-4-17(16)25-20(15)18)27(22,23)13-2-3-19-12(8-13)5-7-26-19/h2-3,5,7-10,21H,4,6,11H2,1H3
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US Patent
0.160n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM166326
PNG
(US9067949, 183)
Show SMILES COc1cc(cc2c3CNCCc3oc12)S(=O)(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C21H20N2O4S/c1-23-12-20(14-5-3-4-6-17(14)23)28(24,25)13-9-15-16-11-22-8-7-18(16)27-21(15)19(10-13)26-2/h3-6,9-10,12,22H,7-8,11H2,1-2H3
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US Patent
0.160n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...


US Patent US9067949 (2015)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 1 hr by scintillation spectroscopic analysis


Citation and Details
More data for this
Ligand-Target Pair
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