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Compile Data Set for Download or QSAR

Found 1316 hits with Last Name = 'malawska' and Initial = 'b'   
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))
BDBM50579331
PNG
(CHEMBL4852099)
Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574183
PNG
(CHEMBL4855991)
Show SMILES CC(=O)Nc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174269
PNG
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574192
PNG
(CHEMBL4850738)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccn3)cccc12
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.5n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...


J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574177
PNG
(CHEMBL4871652)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccc4OCCOc4c3)cccc12
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574176
PNG
(CHEMBL4866390)
Show SMILES COc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1OC
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579329
PNG
(CHEMBL4863218)
Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574175
PNG
(CHEMBL4864854)
Show SMILES COc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574191
PNG
(CHEMBL178254)
Show SMILES CNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579335
PNG
(CHEMBL4854972)
Show SMILES FC(F)(F)c1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...


Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208217
PNG
(CHEMBL3884195)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNC2CCN(Cc3ccccc3)CC2)CC1
Show InChI InChI=1S/C33H41N5O2S/c39-41(40,30-11-5-2-6-12-30)38-22-17-31-32(13-7-14-33(31)38)37-25-23-35(24-26-37)19-8-18-34-29-15-20-36(21-16-29)27-28-9-3-1-4-10-28/h1-7,9-14,17,22,29,34H,8,15-16,18-21,23-27H2
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208263
PNG
(CHEMBL3884227)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCNCc2ccccc2)CC1
Show InChI InChI=1S/C31H38N4O2S/c36-38(37,28-14-7-4-8-15-28)35-21-18-29-30(16-11-17-31(29)35)34-24-22-33(23-25-34)20-10-2-1-9-19-32-26-27-12-5-3-6-13-27/h3-8,11-18,21,32H,1-2,9-10,19-20,22-26H2
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208258
PNG
(CHEMBL3885186)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C37H43N5O2S/c43-45(44,29-13-4-3-5-14-29)42-24-21-32-35(19-12-20-36(32)42)41-27-25-40(26-28-41)23-11-2-1-10-22-38-37-30-15-6-8-17-33(30)39-34-18-9-7-16-31(34)37/h3-6,8,12-15,17,19-21,24H,1-2,7,9-11,16,18,22-23,25-28H2,(H,38,39)
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579327
PNG
(CHEMBL4847532)
Show SMILES Clc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579332
PNG
(CHEMBL4851595)
Show SMILES [O-][N+](=O)c1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579334
PNG
(CHEMBL4864206)
Show SMILES Cc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574162
PNG
(CHEMBL368698)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccccc3)cccc12
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574187
PNG
(CHEMBL4873700)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CC3)cccc12
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2.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574193
PNG
(CHEMBL4863037)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccncc3)cccc12
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574178
PNG
(CHEMBL4862752)
Show SMILES CCOc1cccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579328
PNG
(CHEMBL4878383)
Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579323
PNG
(CHEMBL4878361)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574195
PNG
(CHEMBL4860124)
Show SMILES O=S(=O)(N1CCc2c1cccc2OCCNCc1ccccc1)c1ccccc1
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574194
PNG
(CHEMBL4862289)
Show SMILES Cc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)o1
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579333
PNG
(CHEMBL4868597)
Show SMILES COc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
PDB

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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579320
PNG
(CHEMBL4874513)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12
PDB

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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574173
PNG
(CHEMBL4871678)
Show SMILES CN(C)c1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
PDB

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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574174
PNG
(CHEMBL4871357)
Show SMILES COc1cccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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3.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574169
PNG
(CHEMBL4849702)
Show SMILES FC(F)(F)c1cccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208254
PNG
(CHEMBL3883921)
Show SMILES CN(CCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H36N4O2S/c1-31(25-26-11-4-2-5-12-26)18-8-9-19-32-21-23-33(24-22-32)29-15-10-16-30-28(29)17-20-34(30)37(35,36)27-13-6-3-7-14-27/h2-7,10-17,20H,8-9,18-19,21-25H2,1H3
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50004518
PNG
(CHEMBL2079256)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting


Bioorg Med Chem 20: 2290-303 (2012)


Article DOI: 10.1016/j.bmc.2012.02.009
BindingDB Entry DOI: 10.7270/Q2XW4NP9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50004518
PNG
(CHEMBL2079256)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting


Bioorg Med Chem 20: 2290-303 (2012)


Article DOI: 10.1016/j.bmc.2012.02.009
BindingDB Entry DOI: 10.7270/Q2XW4NP9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574185
PNG
(CHEMBL4854460)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CCCCC3)cccc12
PDB

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4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574166
PNG
(CHEMBL4849917)
Show SMILES Clc1cccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50563999
PNG
(CHEMBL4595698)
Show SMILES OC(=O)C1=CCCN(CCO\N=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1 |t:3|
PDB

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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111920
BindingDB Entry DOI: 10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208256
PNG
(CHEMBL3884618)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C34H37N5O2S/c40-42(41,26-10-2-1-3-11-26)39-21-18-29-32(16-8-17-33(29)39)38-24-22-37(23-25-38)20-9-19-35-34-27-12-4-6-14-30(27)36-31-15-7-5-13-28(31)34/h1-4,6,8,10-12,14,16-18,21H,5,7,9,13,15,19-20,22-25H2,(H,35,36)
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6n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574170
PNG
(CHEMBL4863101)
Show SMILES Fc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574201
PNG
(CHEMBL4861756)
Show SMILES CC(C)(C)OC(=O)N1CCCC(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2cccc3ccccc23)C1
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574172
PNG
(CHEMBL4850764)
Show SMILES CN(C)c1cccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574180
PNG
(CHEMBL4867606)
Show SMILES CC(=O)Oc1cccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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6.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574190
PNG
(CHEMBL4854568)
Show SMILES CC(C)(C)OC(=O)N1CCC(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
PDB

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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113792
BindingDB Entry DOI: 10.7270/Q2514325
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579321
PNG
(CHEMBL4848231)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
PDB

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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208214
PNG
(CHEMBL3884858)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCNc2c3CCCCc3nc3ccccc23)CC1
Show InChI InChI=1S/C36H41N5O2S/c42-44(43,28-12-3-1-4-13-28)41-23-20-31-34(18-11-19-35(31)41)40-26-24-39(25-27-40)22-10-2-9-21-37-36-29-14-5-7-16-32(29)38-33-17-8-6-15-30(33)36/h1,3-5,7,11-14,16,18-20,23H,2,6,8-10,15,17,21-22,24-27H2,(H,37,38)
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8n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208262
PNG
(CHEMBL3884312)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCNCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N4O2S/c34-36(35,26-12-5-2-6-13-26)33-19-16-27-28(14-9-15-29(27)33)32-22-20-31(21-23-32)18-8-7-17-30-24-25-10-3-1-4-11-25/h1-6,9-16,19,30H,7-8,17-18,20-24H2
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8n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50208259
PNG
(CHEMBL3884704)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCNCc2ccccc2)CC1
Show InChI InChI=1S/C30H36N4O2S/c35-37(36,27-13-6-2-7-14-27)34-20-17-28-29(15-10-16-30(28)34)33-23-21-32(22-24-33)19-9-3-8-18-31-25-26-11-4-1-5-12-26/h1-2,4-7,10-17,20,31H,3,8-9,18-19,21-25H2
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8n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
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