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Compile Data Set for Download or QSAR

Found 629 hits with Last Name = 'walczak' and Initial = 'm'   
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))
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


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112765
BindingDB Entry DOI: 10.7270/Q2ZC86K7
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
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))
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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0.900n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H] raclopride from human recombinant D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50600077
PNG
(CHEMBL5208064)
Show SMILES CSc1ccc2Sc3ccccc3C(Cc2c1)N1CCN(C)CC1
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1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50267196
PNG
((+/-)1-(1H-indol-4-yloxy)-3-(2-(2-methoxyphenoxy)e...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Rzesz£w University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Clonidine from alpha2 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting


Eur J Med Chem 44: 5103-11 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.012
BindingDB Entry DOI: 10.7270/Q2668H17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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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 HEK293 cells measured after 1 hr by microbeta plate reader method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112765
BindingDB Entry DOI: 10.7270/Q2ZC86K7
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 1A


(Homo sapiens (Human))
BDBM50600066
PNG
(CHEMBL5187742)
Show SMILES COc1ccccc1N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Rzesz£w University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from alpha1 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting


Eur J Med Chem 44: 5103-11 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.012
BindingDB Entry DOI: 10.7270/Q2668H17
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))
BDBM50574195
PNG
(CHEMBL4860124)
Show SMILES O=S(=O)(N1CCc2c1cccc2OCCNCc1ccccc1)c1ccccc1
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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
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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
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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))
BDBM50574193
PNG
(CHEMBL4863037)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCc3ccncc3)cccc12
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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))
BDBM50274767
PNG
(CHEMBL4125735)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c12 |r|
Show InChI InChI=1S/C21H19ClN4O2S/c22-14-4-3-5-16(12-14)29(27,28)26-11-9-18-20(26)17-6-1-2-7-19(17)25-21(18)24-15-8-10-23-13-15/h1-7,9,11-12,15,23H,8,10,13H2,(H,24,25)/t15-/m0/s1
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114329
BindingDB Entry DOI: 10.7270/Q2RF6040
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Rzesz£w University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Clonidine from alpha2 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting


Eur J Med Chem 44: 5103-11 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.012
BindingDB Entry DOI: 10.7270/Q2668H17
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
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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
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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 7


(Homo sapiens (Human))
BDBM50524111
PNG
(CHEMBL4452569)
Show SMILES CCn1cncc1-c1c[nH]c2ccc(I)c(F)c12
Show InChI InChI=1S/C13H11FIN3/c1-2-18-7-16-6-11(18)8-5-17-10-4-3-9(15)13(14)12(8)10/h3-7,17H,2H2,1H3
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4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
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))
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 7


(Homo sapiens (Human))
BDBM50524116
PNG
(CHEMBL4469847)
Show SMILES CCn1cncc1-c1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C14H14N4O/c1-2-18-8-16-7-13(18)11-6-17-12-4-3-9(14(15)19)5-10(11)12/h3-8,17H,2H2,1H3,(H2,15,19)
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5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed in CHOK1 cells after 1 hr by microbeta scintillation counting method


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
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))
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))
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 7


(Homo sapiens (Human))
BDBM50458530
PNG
(CHEMBL4216263)
Show SMILES CCn1cncc1-c1c[nH]c2ccc(I)cc12
Show InChI InChI=1S/C13H12IN3/c1-2-17-8-15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-8,16H,2H2,1H3
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6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
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))
BDBM50556389
PNG
(CHEMBL4784859)
Show SMILES Clc1cccc(Cn2ccc3c(cccc23)N2CCNCC2)c1
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 HEK293 cells measured after 1 hr by microbeta plate reader method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112765
BindingDB Entry DOI: 10.7270/Q2ZC86K7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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7n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT2A receptor


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126679
BindingDB Entry DOI: 10.7270/Q2445QV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50524113
PNG
(CHEMBL4541526)
Show SMILES Cn1cncc1-c1c[nH]c2ccc(I)cc12
Show InChI InChI=1S/C12H10IN3/c1-16-7-14-6-12(16)10-5-15-11-3-2-8(13)4-9(10)11/h2-7,15H,1H3
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8n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting me...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50600072
PNG
(CHEMBL5185101)
Show SMILES COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccn4)C3)c2cc1OC
PDB

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8.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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8.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126679
BindingDB Entry DOI: 10.7270/Q2445QV1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574186
PNG
(CHEMBL4853545)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCC3CCCC3)cccc12
PDB

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8.5n/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))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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8.80n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting meth...


Eur J Med Chem 170: 261-275 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.017
BindingDB Entry DOI: 10.7270/Q2222Z6Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574199
PNG
(CHEMBL4872486)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2c(OCCNCc3ccccc3)cccc12
PDB

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9n/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))
BDBM50574181
PNG
(CHEMBL4846931)
Show SMILES CC(=O)Oc1ccc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
PDB

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11n/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))
BDBM50574168
PNG
(CHEMBL4845762)
Show SMILES Clc1cc(Cl)cc(CNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
PDB

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11n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50480959
PNG
(CHEMBL573951)
Show SMILES COc1ccccc1OCCNC[C@H](O)COc1c(OC)ccc2[nH]ccc12 |r|
Show InChI InChI=1S/C21H26N2O5/c1-25-18-5-3-4-6-19(18)27-12-11-22-13-15(24)14-28-21-16-9-10-23-17(16)7-8-20(21)26-2/h3-10,15,22-24H,11-14H2,1-2H3/t15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rzesz£w University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from alpha1 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting


Eur J Med Chem 44: 5103-11 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.012
BindingDB Entry DOI: 10.7270/Q2668H17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50600070
PNG
(CHEMBL5173329)
Show SMILES COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(Cl)c4Cl)C3)c2cc1OC
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114218
BindingDB Entry DOI: 10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50574196
PNG
(CHEMBL4872078)
Show SMILES Cc1cccc(CNCCOc2cccc3N(CCc23)S(=O)(=O)c2ccccc2)c1
PDB

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12n/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
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