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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50045082   
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))
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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044604
PNG
(CHEMBL3329442)
Show SMILES CNC[C@@H]1COc2ccc(cc2O1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C16H17NO4S/c1-17-10-12-11-20-15-8-7-14(9-16(15)21-12)22(18,19)13-5-3-2-4-6-13/h2-9,12,17H,10-11H2,1H3/t12-/m1/s1
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0.200n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044621
PNG
(CHEMBL3329430)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1cc2cccc(N3CCNCC3)c2[nH]1
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-4-2-6-15(17(13)20)26(24,25)16-11-12-3-1-5-14(18(12)22-16)23-9-7-21-8-10-23/h1-6,11,21-22H,7-10H2
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0.200n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044595
PNG
(CHEMBL3329451)
Show SMILES O=C1COc2c(cccc2N1Cc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C19H21N3O2/c23-18-14-24-19-16(21-11-9-20-10-12-21)7-4-8-17(19)22(18)13-15-5-2-1-3-6-15/h1-8,20H,9-14H2
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0.200n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50428890
PNG
(ASENAPINE | Saphris)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
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0.25n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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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0.25n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044594
PNG
(CHEMBL3329452)
Show SMILES Fc1ccc2Oc3c(cccc3C(=O)N(Cc3cccc(c3)C(F)(F)F)c2c1)N1CCNCC1
Show InChI InChI=1S/C25H21F4N3O2/c26-18-7-8-22-21(14-18)32(15-16-3-1-4-17(13-16)25(27,28)29)24(33)19-5-2-6-20(23(19)34-22)31-11-9-30-10-12-31/h1-8,13-14,30H,9-12,15H2
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0.300n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044623
PNG
(CHEMBL193400)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N3CCNCC3)c(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N3O2S/c19-13-2-1-3-14(12-13)26(24,25)23-9-6-15-17(23)5-4-16(20)18(15)22-10-7-21-8-11-22/h1-6,9,12,21H,7-8,10-11H2
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0.300n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044593
PNG
(CHEMBL3329453)
Show SMILES O=c1[nH]c2c(cccc2n1Cc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O/c23-18-20-17-15(21-11-9-19-10-12-21)7-4-8-16(17)22(18)13-14-5-2-1-3-6-14/h1-8,19H,9-13H2,(H,20,23)
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0.300n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044605
PNG
(CHEMBL3329441)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2C(CCOc2c1)N1CCNCC1
Show InChI InChI=1S/C19H22N2O3S/c22-25(23,15-4-2-1-3-5-15)16-6-7-17-18(8-13-24-19(17)14-16)21-11-9-20-10-12-21/h1-7,14,18,20H,8-13H2
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0.400n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044607
PNG
(CHEMBL372537)
Show SMILES O=S(=O)(c1csc2c(cccc12)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S2/c21-24(22,14-5-2-1-3-6-14)17-13-23-18-15(17)7-4-8-16(18)20-11-9-19-10-12-20/h1-8,13,19H,9-12H2
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0.5n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044622
PNG
(CHEMBL3329429)
Show SMILES CN1CCN(CC1)c1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)17-9-5-8-16-18(14-20-19(16)17)25(23,24)15-6-3-2-4-7-15/h2-9,14,20H,10-13H2,1H3
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0.5n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044615
PNG
(CHEMBL3329435)
Show SMILES Cc1nc2c(cccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
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0.530n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50419052
PNG
(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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0.700n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50130270
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1
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0.800n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50019754
PNG
(IDALOPIRDINE | LU-AE58054)
Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
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0.830n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044596
PNG
(CHEMBL3329450)
Show SMILES COc1cc(Cn2c3c(OC)cccc3ccc2=O)cc(c1)N1CCNCC1
Show InChI InChI=1S/C22H25N3O3/c1-27-19-13-16(12-18(14-19)24-10-8-23-9-11-24)15-25-21(26)7-6-17-4-3-5-20(28-2)22(17)25/h3-7,12-14,23H,8-11,15H2,1-2H3
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0.900n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044600
PNG
(CHEMBL3329446)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(OC3CCCCC3)cc12
Show InChI InChI=1S/C20H28N2O/c1-22-11-5-6-16(22)12-15-14-21-20-10-9-18(13-19(15)20)23-17-7-3-2-4-8-17/h9-10,13-14,16-17,21H,2-8,11-12H2,1H3
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0.930n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044586
PNG
(CHEMBL179814)
Show SMILES CN1CCC(=CC1)c1cn(c2ccc(F)cc12)S(=O)(=O)c1cccc2ccccc12 |c:4|
Show InChI InChI=1S/C24H21FN2O2S/c1-26-13-11-18(12-14-26)22-16-27(23-10-9-19(25)15-21(22)23)30(28,29)24-8-4-6-17-5-2-3-7-20(17)24/h2-11,15-16H,12-14H2,1H3
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1n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50228649
PNG
(4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
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1n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044606
PNG
(CHEMBL3329440)
Show SMILES O=S(=O)(Nc1ccc2OCC=C(C3CCNCC3)c2c1)c1ccccc1 |t:10|
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-4-2-1-3-5-17)22-16-6-7-20-19(14-16)18(10-13-25-20)15-8-11-21-12-9-15/h1-7,10,14-15,21-22H,8-9,11-13H2
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1n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044619
PNG
(CHEMBL3329432)
Show SMILES CN1CCC(CC1)c1cn(C)c2cc(OS(=O)(=O)c3c(F)cccc3F)ccc12
Show InChI InChI=1S/C21H22F2N2O3S/c1-24-10-8-14(9-11-24)17-13-25(2)20-12-15(6-7-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23/h3-7,12-14H,8-11H2,1-2H3
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1n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044597
PNG
(CHEMBL3329449)
Show SMILES COc1cc(N2CCNCC2)c2ncc(C)c(Oc3ccccc3)c2c1
Show InChI InChI=1S/C21H23N3O2/c1-15-14-23-20-18(21(15)26-16-6-4-3-5-7-16)12-17(25-2)13-19(20)24-10-8-22-9-11-24/h3-7,12-14,22H,8-11H2,1-2H3
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1n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044613
PNG
(CHEMBL3329436)
Show SMILES CN(C)CCc1cn(c2sccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H18N2O2S2/c1-17(2)10-8-13-12-18(16-15(13)9-11-21-16)22(19,20)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3
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1.20n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50193464
PNG
(4-(3-benzenesulfonylphenyl)piperazine | CHEMBL2129...)
Show SMILES O=S(=O)(c1ccccc1)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C16H18N2O2S/c19-21(20,15-6-2-1-3-7-15)16-8-4-5-14(13-16)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
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1.20n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044609
PNG
(CHEMBL3329439)
Show SMILES COc1ccc(C)cc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2occc2c1
Show InChI InChI=1S/C21H24N2O5S/c1-14-3-4-18(26-2)20(11-14)29(24,25)23-16-12-15-7-10-27-21(15)19(13-16)28-17-5-8-22-9-6-17/h3-4,7,10-13,17,22-23H,5-6,8-9H2,1-2H3
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1.20n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044617
PNG
(CHEMBL3329434)
Show SMILES CSc1nn2c(nc(C)nc2c1S(=O)(=O)c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C17H20N6O2S2/c1-12-19-15-14(27(24,25)13-6-4-3-5-7-13)16(26-2)21-23(15)17(20-12)22-10-8-18-9-11-22/h3-7,18H,8-11H2,1-2H3
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1.20n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044616
PNG
(Cerlapirdine | PF-05212365 | SAM-531 | WAY-262531)
Show SMILES CN(C)CCCOc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
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1.30n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1.30n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50163069
PNG
(1-Benzenesulfonyl-5-chloro-3-((R)-1-methyl-pyrroli...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O2S/c1-22-11-5-6-17(22)12-15-14-23(20-10-9-16(21)13-19(15)20)26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3/t17-/m1/s1
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1.40n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106249
PNG
(CHEMBL92139 | [2-(1-Benzenesulfonyl-1H-indol-4-yl)...)
Show SMILES CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-11-15-7-6-10-18-17(15)12-14-20(18)23(21,22)16-8-4-3-5-9-16/h3-10,12,14H,11,13H2,1-2H3
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1.5n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044589
PNG
(CHEMBL3331585)
Show SMILES CN1CCN(CC1)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc2CCOc12
Show InChI InChI=1S/C22H24ClN3O3S2/c1-14-18-12-16(23)3-4-20(18)30-22(14)31(27,28)24-17-11-15-5-10-29-21(15)19(13-17)26-8-6-25(2)7-9-26/h3-4,11-13,24H,5-10H2,1-2H3
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1.60n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044587
PNG
(CHEMBL3329425)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m0/s1
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1.70n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044599
PNG
(CHEMBL3329447)
Show SMILES NCCOc1cccc2n3[C@@H](COc4cccc(c34)c12)c1ccccc1 |r|
Show InChI InChI=1S/C22H20N2O2/c23-12-13-25-19-10-5-9-17-21(19)16-8-4-11-20-22(16)24(17)18(14-26-20)15-6-2-1-3-7-15/h1-11,18H,12-14,23H2/t18-/m0/s1
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1.80n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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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2.30n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044590
PNG
(CHEMBL191429)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCNCC1
Show InChI InChI=1S/C17H20IN3O3S/c1-24-17-7-4-14(12-16(17)21-10-8-19-9-11-21)20-25(22,23)15-5-2-13(18)3-6-15/h2-7,12,19-20H,8-11H2,1H3
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2.30n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50158038
PNG
(1-Benzenesulfonyl-5-fluoro-3-(1,2,3,6-tetrahydro-p...)
Show SMILES Fc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccccc1 |t:8|
Show InChI InChI=1S/C19H17FN2O2S/c20-15-6-7-19-17(12-15)18(14-8-10-21-11-9-14)13-22(19)25(23,24)16-4-2-1-3-5-16/h1-8,12-13,21H,9-11H2
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2.40n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50130268
PNG
(CHEMBL329383 | N-(2,5-Dibromo-3-fluoro-phenyl)-4-m...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
Show InChI InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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2.60n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(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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2.90n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50305263
PNG
(2,8-Dimethyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyr...)
Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1
Show InChI InChI=1S/C21H24N2/c1-16-8-9-20-18(14-16)19-15-22(2)12-11-21(19)23(20)13-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
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3n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044603
PNG
(CHEMBL3329443)
Show SMILES O=S(=O)(c1ccccc1)c1ccc(C2CCNCC2)c2ccccc12
Show InChI InChI=1S/C21H21NO2S/c23-25(24,17-6-2-1-3-7-17)21-11-10-18(16-12-14-22-15-13-16)19-8-4-5-9-20(19)21/h1-11,16,22H,12-15H2
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3.80n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044601
PNG
(CHEMBL3329445)
Show SMILES COc1cc(Cl)cc(C(C)Nc2cc(ccc2S(C)(=O)=O)N2CCNCC2)c1OC
Show InChI InChI=1S/C21H28ClN3O4S/c1-14(17-11-15(22)12-19(28-2)21(17)29-3)24-18-13-16(25-9-7-23-8-10-25)5-6-20(18)30(4,26)27/h5-6,11-14,23-24H,7-10H2,1-4H3
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4n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50313118
PNG
(5-fluoro-3-(3-fluorophenylsulfonyl)-1-(piperidin-3...)
Show SMILES Fc1cccc(c1)S(=O)(=O)c1cn(C2CCCNC2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F2N2O2S/c20-13-3-1-5-16(9-13)26(24,25)19-12-23(15-4-2-8-22-11-15)18-7-6-14(21)10-17(18)19/h1,3,5-7,9-10,12,15,22H,2,4,8,11H2
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4n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50073056
PNG
(4-Bromo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-p...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C18H22BrN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3
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5n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50163055
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CN(C)Cc1c[nH]c2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Show InChI InChI=1S/C20H20ClN3O2S2/c1-12-16-8-14(21)4-7-19(16)27-20(12)28(25,26)23-15-5-6-18-17(9-15)13(10-22-18)11-24(2)3/h4-10,22-23H,11H2,1-3H3
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5.30n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044611
PNG
(CHEMBL3329437)
Show SMILES O=c1n(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1 |t:3|
Show InChI InChI=1S/C22H19N3O3S/c26-22-24(18-11-13-23-14-12-18)20-7-3-4-8-21(20)25(22)29(27,28)19-10-9-16-5-1-2-6-17(16)15-19/h1-11,15,23H,12-14H2
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5.70n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50106248
PNG
((4S,5S)-4-Dimethylamino-1-(toluene-4-sulfonyl)-1,3...)
Show SMILES CN(C)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H22N2O3S/c1-13-7-9-15(10-8-13)26(24,25)22-12-14-11-18(21(2)3)20(23)16-5-4-6-17(22)19(14)16/h4-10,12,18,20,23H,11H2,1-3H3/t18-,20-/m0/s1
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7.20n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044598
PNG
(CHEMBL3329448)
Show SMILES OCCCNC[C@H]1CCc2ccc(OCc3ccccc3)cc2O1 |r|
Show InChI InChI=1S/C20H25NO3/c22-12-4-11-21-14-19-10-8-17-7-9-18(13-20(17)24-19)23-15-16-5-2-1-3-6-16/h1-3,5-7,9,13,19,21-22H,4,8,10-12,14-15H2/t19-/m1/s1
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9n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50163091
PNG
(6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1...)
Show SMILES Clc1nc2sccn2c1S(=O)(=O)Nc1ccc2n(CCN3CCCC3)ccc2c1
Show InChI InChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-3-4-16-14(13-15)5-8-24(16)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2
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9.80n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044585
PNG
(CHEMBL3329426)
Show SMILES Fc1ccc2n(Cc3ccccc3)cc(C3=CCNCC3)c2c1 |t:16|
Show InChI InChI=1S/C20H19FN2/c21-17-6-7-20-18(12-17)19(16-8-10-22-11-9-16)14-23(20)13-15-4-2-1-3-5-15/h1-8,12,14,22H,9-11,13H2
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10n/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


J Med Chem 57: 7160-81 (2014)


Article DOI: 10.1021/jm5003952
BindingDB Entry DOI: 10.7270/Q2X92CZZ
More data for this
Ligand-Target Pair
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