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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'wi?cek' 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))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells after 1 hr by liquid scintillation counting method


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50419052
PNG
(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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0.724n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
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



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
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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7n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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9n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516529
PNG
(CHEMBL4520796)
Show SMILES CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)
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11n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by mic...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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18n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 1 hr by radioligand binding...


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516514
PNG
(CHEMBL4515075)
Show SMILES CC(Sc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C16H21ClN6S/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)
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19n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
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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20n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 1 hr by radioligand bi...


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM189352
PNG
(4-(4-Methylpiperazin-1-yl)-6-(naphthalen-1-ylmethy...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2cccc3ccccc23)n1
Show InChI InChI=1S/C19H22N6/c1-24-9-11-25(12-10-24)19-22-17(21-18(20)23-19)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H2,20,21,22,23)
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20n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252344
PNG
(CHEMBL4086515)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)
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22n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516522
PNG
(CHEMBL4447416)
Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)
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23n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516521
PNG
(CHEMBL4557247)
Show SMILES CN1CCN(CC1)c1nc(N)nc(CSc2ccccc2)n1
Show InChI InChI=1S/C15H20N6S/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-22-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
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26n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252358
PNG
(CHEMBL4104479)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2cccc(Cl)c2)n1
Show InChI InChI=1S/C15H19ClN6/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)10-11-3-2-4-12(16)9-11/h2-4,9H,5-8,10H2,1H3,(H2,17,18,19,20)
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28n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252350
PNG
(CHEMBL4080312)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2cccc(C)c2)n1
Show InChI InChI=1S/C16H22N6/c1-12-4-3-5-13(10-12)11-14-18-15(17)20-16(19-14)22-8-6-21(2)7-9-22/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18,19,20)
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30n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252356
PNG
(CHEMBL4103397)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C15H18Cl2N6/c1-22-4-6-23(7-5-22)15-20-13(19-14(18)21-15)9-10-2-3-11(16)12(17)8-10/h2-3,8H,4-7,9H2,1H3,(H2,18,19,20,21)
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32n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252357
PNG
(CHEMBL4075727)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H19ClN6/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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52n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50090528
PNG
(4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-b...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1
Show InChI InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
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55n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT6R


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556119
PNG
(CHEMBL4757387)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252379
PNG
(CHEMBL4077077)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2Cl)n1
Show InChI InChI=1S/C15H19ClN6/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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56n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252352
PNG
(CHEMBL4059916)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2cccc(F)c2)n1
Show InChI InChI=1S/C15H19FN6/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)10-11-3-2-4-12(16)9-11/h2-4,9H,5-8,10H2,1H3,(H2,17,18,19,20)
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64n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252349
PNG
(CHEMBL4079397)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccc(C)cc2)n1
Show InChI InChI=1S/C16H22N6/c1-12-3-5-13(6-4-12)11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)
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64n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1 |t:7|
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine H3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252362
PNG
(CHEMBL4098336)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2C)n1
Show InChI InChI=1S/C16H22N6/c1-12-5-3-4-6-13(12)11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)
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80n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556131
PNG
(CHEMBL4789324)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCN3CCCCCC3)cc1c2=O
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86n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516525
PNG
(CHEMBL4570584)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1
Show InChI InChI=1S/C16H22N6O/c1-12-5-3-4-6-13(12)23-11-14-18-15(17)20-16(19-14)22-9-7-21(2)8-10-22/h3-6H,7-11H2,1-2H3,(H2,17,18,19,20)
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87n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252364
PNG
(CHEMBL4079150)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2F)n1
Show InChI InChI=1S/C15H19FN6/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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88n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM189353
PNG
(4-Benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2)n1
Show InChI InChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
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95n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556127
PNG
(CHEMBL4777210)
Show SMILES CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
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97n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556121
PNG
(CHEMBL4796334)
Show SMILES CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252351
PNG
(CHEMBL4088170)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H19FN6/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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100n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556132
PNG
(CHEMBL4783624)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCCC4)cc3c(=O)c2c1
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556124
PNG
(CHEMBL4797681)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
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110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516518
PNG
(CHEMBL4462404)
Show SMILES [#6]-[#6]([Se;v2]c1ccccc1)-c1nc(-[#7])nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C16H22N6Se/c1-12(23-13-6-4-3-5-7-13)14-18-15(17)20-16(19-14)22-10-8-21(2)9-11-22/h3-7,12H,8-11H2,1-2H3,(H2,17,18,19,20)
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111n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516523
PNG
(CHEMBL4522568)
Show SMILES CC(Oc1cccc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-5-3-4-12(17)10-13)14-19-15(18)21-16(20-14)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21)
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118n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516528
PNG
(CHEMBL4591878)
Show SMILES CN1CCN(CC1)c1nc(N)nc(CSc2ccccc2Cl)n1
Show InChI InChI=1S/C15H19ClN6S/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-5-3-2-4-11(12)16/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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126n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516530
PNG
(CHEMBL4473083)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C15H18Cl2N6O/c1-22-4-6-23(7-5-22)15-20-13(19-14(18)21-15)9-24-12-3-2-10(16)8-11(12)17/h2-3,8H,4-7,9H2,1H3,(H2,18,19,20,21)
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128n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516527
PNG
(CHEMBL4548041)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccccc2Cl)n1
Show InChI InChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-5-3-2-4-11(12)16/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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129n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50492991
PNG
(CHEMBL1081718)
Show SMILES CCC(C)CCNC(=O)OCCCc1c[nH]cn1
Show InChI InChI=1S/C13H23N3O2/c1-3-11(2)6-7-15-13(17)18-8-4-5-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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129n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 23: 4886-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.075
BindingDB Entry DOI: 10.7270/Q2ZC85TZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556126
PNG
(CHEMBL4786252)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
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140n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50492992
PNG
(CHEMBL1789558)
Show SMILES C=CCCCNC(=O)OCCCc1c[nH]cn1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16)
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141n/an/an/an/an/an/an/an/a



United Arab Emirates University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 23: 4886-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.075
BindingDB Entry DOI: 10.7270/Q2ZC85TZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556120
PNG
(CHEMBL4784081)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
PDB

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148n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516526
PNG
(CHEMBL4524981)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2cccc(Cl)c2)n1
Show InChI InChI=1S/C15H19ClN6O/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)10-23-12-4-2-3-11(16)9-12/h2-4,9H,5-8,10H2,1H3,(H2,17,18,19,20)
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148n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay


Eur J Med Chem 178: 740-751 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.022
BindingDB Entry DOI: 10.7270/Q22F7RSS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556114
PNG
(CHEMBL4798732)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCC4)cc3c(=O)c2c1
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150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556118
PNG
(CHEMBL4759463)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
PDB

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156n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50252361
PNG
(CHEMBL4068577)
Show SMILES COc1cccc(Cc2nc(N)nc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C16H22N6O/c1-21-6-8-22(9-7-21)16-19-14(18-15(17)20-16)11-12-4-3-5-13(10-12)23-2/h3-5,10H,6-9,11H2,1-2H3,(H2,17,18,19,20)
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Article
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158n/an/an/an/an/an/an/an/a



Department of Technology and Biotechnology of Drugs, Jagiellonian University, Medical College, Medyczna 9, PL 30-688 Kraków, Poland. Electronic address: dlazewska@cm-uj.krakow.pl.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells


Eur J Med Chem 135: 117-124 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.033
BindingDB Entry DOI: 10.7270/Q2QN696C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50537206
PNG
(CHEMBL4483783)
Show SMILES CN1CCN(CC1)c1nc(N)nc(CC2CCCCC2)n1
Show InChI InChI=1S/C15H26N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,16,17,18,19)
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160n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from recombinant human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2/Gbeta1gamma2


Bioorg Med Chem 27: 1254-1262 (2019)


Article DOI: 10.1016/j.bmc.2019.02.020
BindingDB Entry DOI: 10.7270/Q2C250Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556130
PNG
(CHEMBL4797355)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
PDB

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MCE
PC cid
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UniChem
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PubMed
170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
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