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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'kota' and Initial = 'l'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.0300n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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0.100n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.800n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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0.900n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138117
PNG
(CHEMBL3753315)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(C1)C1CCC1
Show InChI InChI=1/C25H37N3O2/c1-18(2)26-13-10-22(11-14-26)30-23-6-7-24-19(16-23)8-15-28(25(24)29)21-9-12-27(17-21)20-4-3-5-20/h6-7,16,18,20-22H,3-5,8-15,17H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138106
PNG
(CHEMBL3753814)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)26-14-10-20(11-15-26)25-24(28)19-6-8-22(9-7-19)29-23-12-16-27(17-13-23)21-4-3-5-21/h6-9,18,20-21,23H,3-5,10-17H2,1-2H3,(H,25,28)
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138118
PNG
(CHEMBL3754200)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C26H39N3O2/c1-19(2)27-15-11-23(12-16-27)31-24-6-7-25-20(18-24)8-17-29(26(25)30)22-9-13-28(14-10-22)21-4-3-5-21/h6-7,18-19,21-23H,3-5,8-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
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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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


Bioorg Med Chem Lett 21: 4577-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.106
BindingDB Entry DOI: 10.7270/Q2GH9JBN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138104
PNG
(CHEMBL3754209)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1/C23H35N3O2/c1-17(2)25-14-11-22(12-15-25)28-21-8-6-18(7-9-21)23(27)24-19-10-13-26(16-19)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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2.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138125
PNG
(BAVISANT | Bavisant | JNJ-31001074)
Show SMILES O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
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5.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138113
PNG
(CHEMBL3753170)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(F)c1
Show InChI InChI=1/C23H34FN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138112
PNG
(CHEMBL3753147)
Show SMILES Clc1cc(OC2CCN(CC2)C2CCC2)ccc1C(=O)NC1CCN(CC1)C1CCC1
Show InChI InChI=1S/C25H36ClN3O2/c26-24-17-22(31-21-11-15-29(16-12-21)20-5-2-6-20)7-8-23(24)25(30)27-18-9-13-28(14-10-18)19-3-1-4-19/h7-8,17-21H,1-6,9-16H2,(H,27,30)
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6.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138111
PNG
(CHEMBL3751915)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1Cl
Show InChI InChI=1S/C24H36ClN3O2/c1-17(2)27-12-8-18(9-13-27)26-24(29)22-7-6-21(16-23(22)25)30-20-10-14-28(15-11-20)19-4-3-5-19/h6-7,16-20H,3-5,8-15H2,1-2H3,(H,26,29)
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7n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138107
PNG
(CHEMBL3753304)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1F)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1/C23H34FN3O2/c1-16(2)26-12-9-20(10-13-26)29-22-7-6-17(14-21(22)24)23(28)25-18-8-11-27(15-18)19-4-3-5-19/h6-7,14,16,18-20H,3-5,8-13,15H2,1-2H3,(H,25,28)
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7.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334254
PNG
(5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-7-9-23(10-8-22)19-13-24(18-6-5-14(20)11-17(18)19)27(25,26)16-4-2-3-15(21)12-16/h2-6,11-13H,7-10H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138105
PNG
(CHEMBL3752081)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C23H37N3O2/c1-17(2)25-13-9-20(10-14-25)24-23(27)19-5-7-21(8-6-19)28-22-11-15-26(16-12-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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8.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334253
PNG
(3-(4-ethylpiperazin-1-yl)-1-(4-isopropylphenylsulf...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H29N3O2S/c1-4-24-13-15-25(16-14-24)23-17-26(22-8-6-5-7-21(22)23)29(27,28)20-11-9-19(10-12-20)18(2)3/h5-12,17-18H,4,13-16H2,1-3H3
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8.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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8.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138114
PNG
(CHEMBL3753764)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(C)c1
Show InChI InChI=1/C24H37N3O2/c1-17(2)26-13-10-21(11-14-26)29-22-7-8-23(18(3)15-22)24(28)25-19-9-12-27(16-19)20-5-4-6-20/h7-8,15,17,19-21H,4-6,9-14,16H2,1-3H3,(H,25,28)
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334255
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN3O2S/c1-22-8-10-23(11-9-22)19-13-24(18-7-2-14(20)12-17(18)19)27(25,26)16-5-3-15(21)4-6-16/h2-7,12-13H,8-11H2,1H3
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50444496
PNG
(CHEMBL3092650)
Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
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10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334259
PNG
(5-Bromo-1-(2-bromobenzenesulfonyl)-3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19Br2N3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-7-6-14(20)12-15(17)18)27(25,26)19-5-3-2-4-16(19)21/h2-7,12-13H,8-11H2,1H3
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10.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334256
PNG
(5-Bromo-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpipe...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21BrFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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10.6n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334260
PNG
(5-Chloro-1-(4-fluorobenzenesulfonyl)-3-(4-ethylpip...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-2-23-9-11-24(12-10-23)20-14-25(19-8-3-15(21)13-18(19)20)28(26,27)17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3
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10.7n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334250
PNG
(1-(3-chlorophenylsulfonyl)-3-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClN3O2S/c1-21-9-11-22(12-10-21)19-14-23(18-8-3-2-7-17(18)19)26(24,25)16-6-4-5-15(20)13-16/h2-8,13-14H,9-12H2,1H3
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10.8n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138109
PNG
(CHEMBL3752705)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1F
Show InChI InChI=1S/C23H36FN3O2/c1-16(2)26-11-7-18(8-12-26)25-23(28)21-6-5-20(15-22(21)24)29-19-9-13-27(14-10-19)17(3)4/h5-6,15-19H,7-14H2,1-4H3,(H,25,28)
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11n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138108
PNG
(CHEMBL3753102)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(CC2)C2CCC2)c(F)c1
Show InChI InChI=1S/C24H36FN3O2/c1-17(2)27-14-10-20(11-15-27)30-21-6-7-22(23(25)16-21)24(29)26-18-8-12-28(13-9-18)19-4-3-5-19/h6-7,16-20H,3-5,8-15H2,1-2H3,(H,26,29)
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11n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334249
PNG
(1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
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11.8n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334251
PNG
(1-(2-bromophenylsulfonyl)-3-(4-methylpiperazin-1-y...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H20BrN3O2S/c1-21-10-12-22(13-11-21)18-14-23(17-8-4-2-6-15(17)18)26(24,25)19-9-5-3-7-16(19)20/h2-9,14H,10-13H2,1H3
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15.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334252
PNG
(3-(4-methylpiperazin-1-yl)-1-(phenylsulfonyl)-1H-i...)
Show SMILES CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-20-11-13-21(14-12-20)19-15-22(18-10-6-5-9-17(18)19)25(23,24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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15.9n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138110
PNG
(CHEMBL3752796)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(Cl)c1
Show InChI InChI=1/C23H34ClN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
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18n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334261
PNG
(5-Chloro-1-(2-bromobenzenesulfonyl)-3-(4-ethylpipe...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C20H21BrClN3O2S/c1-2-23-9-11-24(12-10-23)19-14-25(18-8-7-15(22)13-16(18)19)28(26,27)20-6-4-3-5-17(20)21/h3-8,13-14H,2,9-12H2,1H3
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20.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334257
PNG
(5-Bromo-1-(4-isopropylbenzenesulfonyl)-3-(4-methyl...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C22H26BrN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-14-18(23)6-9-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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23.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334266
PNG
(6-Chloro-1-(2-naphthylsulfonyl)-3-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H24ClN3O2S/c1-2-26-11-13-27(14-12-26)24-17-28(23-16-20(25)8-10-22(23)24)31(29,30)21-9-7-18-5-3-4-6-19(18)15-21/h3-10,15-17H,2,11-14H2,1H3
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25.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138121
PNG
(CHEMBL3754205)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1/C23H35N3O2/c1-17(2)26-13-10-19(16-26)24-23(27)18-6-8-21(9-7-18)28-22-11-14-25(15-12-22)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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27n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334258
PNG
(5-Bromo-1-(4-isopropylbenzenesulfonyl)-3-(4-ethylp...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H28BrN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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30.1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334267
PNG
(6-Chloro-1-(2-bromobenzenesulfonyl)-3-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C19H19BrClN3O2S/c1-22-8-10-23(11-9-22)18-13-24(17-12-14(21)6-7-15(17)18)27(25,26)19-5-3-2-4-16(19)20/h2-7,12-13H,8-11H2,1H3
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30.2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334262
PNG
(5-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-ethyl...)
Show SMILES CCN1CCN(CC1)c1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H28ClN3O2S/c1-4-25-11-13-26(14-12-25)23-16-27(22-10-7-19(24)15-21(22)23)30(28,29)20-8-5-18(6-9-20)17(2)3/h5-10,15-17H,4,11-14H2,1-3H3
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30.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334264
PNG
(6-Chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-methy...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
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55.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334265
PNG
(6-Chloro-1-(2,5-dimethoxybenzenesulfonyl)-3-(4-eth...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1cc(OC)ccc1OC
Show InChI InChI=1S/C22H26ClN3O4S/c1-4-24-9-11-25(12-10-24)20-15-26(19-13-16(23)5-7-18(19)20)31(27,28)22-14-17(29-2)6-8-21(22)30-3/h5-8,13-15H,4,9-12H2,1-3H3
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63.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334263
PNG
(6-Chloro-1-(4-methoxybenzenesulfonyl)-3-(4-ethylpi...)
Show SMILES CCN1CCN(CC1)c1cn(c2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
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82.3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138103
PNG
(CHEMBL3752696)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCOCC2)cc1
Show InChI InChI=1/C19H28N2O3/c1-14(2)21-10-7-16(13-21)20-19(22)15-3-5-17(6-4-15)24-18-8-11-23-12-9-18/h3-6,14,16,18H,7-13H2,1-2H3,(H,20,22)
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103n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138116
PNG
(CHEMBL3754674)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1C)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1/C24H37N3O2/c1-17(2)26-13-10-22(11-14-26)29-23-8-7-19(15-18(23)3)24(28)25-20-9-12-27(16-20)21-5-4-6-21/h7-8,15,17,20-22H,4-6,9-14,16H2,1-3H3,(H,25,28)
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384n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
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