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Compile Data Set for Download or QSAR

Found 1074 hits with Last Name = 'canale' and Initial = 'v'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462179
PNG
(CHEMBL4245263)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-21-7-8-24-25(16-21)35-30-27(24)19-9-13-31(14-10-19)15-11-22-5-3-12-32(22)36(33,34)26-18-29-17-20-4-1-2-6-23(20)26/h1-2,4,6-8,16-19,22H,3,5,9-15H2/t22-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462156
PNG
(CHEMBL4246655)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50291284
PNG
(CHEMBL4170220)
Show SMILES CN([C@@H]1CCCc2cc(ccc12)S(=O)(=O)c1cccc(F)c1)C(N)=O |r|
Show InChI InChI=1S/C18H19FN2O3S/c1-21(18(20)22)17-7-2-4-12-10-15(8-9-16(12)17)25(23,24)14-6-3-5-13(19)11-14/h3,5-6,8-11,17H,2,4,7H2,1H3,(H2,20,22)/t17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)


Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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0.234n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptor


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(RAT)
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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0.234n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptor


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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0.280n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)


Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
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))
BDBM50291286
PNG
(CHEMBL4169827)
Show SMILES O=S(=O)(c1ccccc1)n1ncc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C17H18N4O2S/c22-24(23,14-5-2-1-3-6-14)21-17-8-4-7-16(15(17)13-19-21)20-11-9-18-10-12-20/h1-8,13,18H,9-12H2
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0.300n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)


Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462155
PNG
(CHEMBL4239091)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50462179
PNG
(CHEMBL4245263)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-21-7-8-24-25(16-21)35-30-27(24)19-9-13-31(14-10-19)15-11-22-5-3-12-32(22)36(33,34)26-18-29-17-20-4-1-2-6-23(20)26/h1-2,4,6-8,16-19,22H,3,5,9-15H2/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462148
PNG
(CHEMBL4242392)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50044615
PNG
(CHEMBL3329435)
Show SMILES Cc1nc2c(cccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6R (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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0.580n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462142
PNG
(CHEMBL4242858)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
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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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptor


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptor


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


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



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)


Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462152
PNG
(CHEMBL4238679)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-19-27-18-20-6-1-2-8-22(20)25)31-12-5-7-21(31)11-13-29-14-16-30(17-15-29)26-23-9-3-4-10-24(23)34-28-26/h1-4,6,8-10,18-19,21H,5,7,11-17H2/t21-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
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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1n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6R (unknown origin)


Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562751
PNG
(CHEMBL4760545)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
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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 HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562747
PNG
(CHEMBL4756814)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
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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 HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562748
PNG
(CHEMBL4760105)
Show SMILES CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
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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 HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50143280
PNG
(CHEMBL3759205)
Show SMILES CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C24H31FN2O3S/c1-17(2)18-4-3-5-23(14-18)30-13-12-27-21-8-9-22(27)16-20(15-21)26-31(28,29)24-10-6-19(25)7-11-24/h3-7,10-11,14,17,20-22,26H,8-9,12-13,15-16H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 108: 334-46 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.040
BindingDB Entry DOI: 10.7270/Q28S4RRH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50462142
PNG
(CHEMBL4242858)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m1/s1
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462138
PNG
(CHEMBL4246202)
Show SMILES O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-11-3-9-23-21(25)8-4-13-27-23)31-14-5-6-20(31)12-15-29-16-18-30(19-17-29)26-22-7-1-2-10-24(22)34-28-26/h1-4,7-11,13,20H,5-6,12,14-19H2/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50070614
PNG
(CHEMBL3409037)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1 |r|
Show InChI InChI=1S/C30H48N4O2/c1-25(2)26-13-7-8-14-27(26)32-23-21-31(22-24-32)17-9-4-3-6-16-29(35)34-20-12-15-28(34)30(36)33-18-10-5-11-19-33/h7-8,13-14,25,28H,3-6,9-12,15-24H2,1-2H3/t28-/m0/s1
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50462155
PNG
(CHEMBL4239091)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C26H29N5O2S2/c32-35(33,25-9-3-5-20-19-27-12-10-22(20)25)31-13-4-6-21(31)11-14-29-15-17-30(18-16-29)26-23-7-1-2-8-24(23)34-28-26/h1-3,5,7-10,12,19,21H,4,6,11,13-18H2/t21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50462168
PNG
(CHEMBL4243848)
Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
Show InChI InChI=1S/C27H30N4O2S2/c32-35(33,27-10-1-7-24-22(27)6-3-13-28-24)31-14-4-5-21(31)11-15-29-16-18-30(19-17-29)25-8-2-9-26-23(25)12-20-34-26/h1-3,6-10,12-13,20-21H,4-5,11,14-19H2/t21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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1.40n/an/an/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes after 1 hr by microbeta counting method


Eur J Med Chem 144: 716-729 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.053
BindingDB Entry DOI: 10.7270/Q2ZK5K6S
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))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462169
PNG
(CHEMBL4241050)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-20-8-9-23-25(18-20)35-30-27(23)19-10-15-31(16-11-19)17-12-21-4-3-14-32(21)36(33,34)26-7-1-6-24-22(26)5-2-13-29-24/h1-2,5-9,13,18-19,21H,3-4,10-12,14-17H2/t21-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50532639
PNG
(CHEMBL4447846)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-5-7-23-20(13-18)21(16-8-11-24-12-9-16)15-26(23)30(27,28)19-6-4-17-3-2-10-25-22(17)14-19/h2-8,10,13-15,24H,9,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation counting


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50532639
PNG
(CHEMBL4447846)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-5-7-23-20(13-18)21(16-8-11-24-12-9-16)15-26(23)30(27,28)19-6-4-17-3-2-10-25-22(17)14-19/h2-8,10,13-15,24H,9,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation counting


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562749
PNG
(CHEMBL4756098)
Show SMILES CC(C)c1nc2c(nccc2n1S(=O)(=O)c1ccccc1)N1CCNCC1
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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 HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50143372
PNG
(CHEMBL3759617)
Show SMILES CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C24H31FN2O3S/c1-17(2)18-5-3-7-23(13-18)30-12-11-27-21-9-10-22(27)16-20(15-21)26-31(28,29)24-8-4-6-19(25)14-24/h3-8,13-14,17,20-22,26H,9-12,15-16H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 108: 334-46 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.040
BindingDB Entry DOI: 10.7270/Q28S4RRH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50562744
PNG
(CHEMBL4777550)
Show SMILES Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
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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 HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02009
BindingDB Entry DOI: 10.7270/Q2JQ14RQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003916
PNG
(CHEMBL3235745)
Show SMILES CSc1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C28H38N4O2S/c1-35-26-13-8-7-12-24(26)31-18-16-30(17-19-31)15-9-3-2-4-14-27(33)32-21-23-11-6-5-10-22(23)20-25(32)28(29)34/h5-8,10-13,25H,2-4,9,14-21H2,1H3,(H2,29,34)/t25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50462177
PNG
(CHEMBL4250475)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
Show InChI InChI=1S/C27H29FN4O3S/c28-20-8-9-23-25(18-20)35-30-27(23)19-10-15-31(16-11-19)17-12-21-4-3-14-32(21)36(33,34)26-7-1-6-24-22(26)5-2-13-29-24/h1-2,5-9,13,18-19,21H,3-4,10-12,14-17H2/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method


Eur J Med Chem 145: 790-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.002
BindingDB Entry DOI: 10.7270/Q27947BS
More data for this
Ligand-Target Pair
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