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Compile Data Set for Download or QSAR

Found 402 hits with Last Name = 'panek' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579331
PNG
(CHEMBL4852099)
Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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0.100n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


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


J Med Chem 62: 11416-11422 (2019)


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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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



Jagiellonian University Medical College

Curated by ChEMBL


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


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


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


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



Jagiellonian University Medical College

Curated by ChEMBL


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


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


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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


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


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579328
PNG
(CHEMBL4878383)
Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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3n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579323
PNG
(CHEMBL4878361)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12
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3n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579333
PNG
(CHEMBL4868597)
Show SMILES COc1ccc(CNCCNCCOc2cccc3n(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 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method


Citation and Details

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


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

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


TBA

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


Citation and Details

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


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

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


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579324
PNG
(CHEMBL4866788)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNCc3ccccc3)cccc12
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8n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579325
PNG
(CHEMBL4850488)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNCc3ccccc3)cccc12
PDB

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8n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579322
PNG
(CHEMBL4877482)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCCNc3c4CCCCc4nc4ccccc34)cccc12
PDB

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8.60n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579319
PNG
(CHEMBL4850051)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCNc3c4CCCCc4nc4ccccc34)cccc12
PDB

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10n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579330
PNG
(CHEMBL4847373)
Show SMILES Clc1cc(Cl)cc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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11n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579326
PNG
(CHEMBL4871964)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCCNCc3ccccc3)cccc12
PDB

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12n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579318
PNG
(CHEMBL4850546)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12
PDB

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13n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50579336
PNG
(CHEMBL4845823)
Show SMILES CCN(C)C(=O)Oc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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15n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50519742
PNG
(CHEMBL4469017)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C27H38N2O5/c1-5-32-26(30)23-19(3)28-20(4)24(27(31)33-6-2)25(23)21-11-13-22(14-12-21)34-18-10-17-29-15-8-7-9-16-29/h11-14,25,28H,5-10,15-18H2,1-4H3
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40n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


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


J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50519739
PNG
(CHEMBL4443523)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCN2CCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C27H38N2O5/c1-5-32-26(30)23-19(3)28-20(4)24(27(31)33-6-2)25(23)21-11-13-22(14-12-21)34-18-10-9-17-29-15-7-8-16-29/h11-14,25,28H,5-10,15-18H2,1-4H3
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60n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


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


J Med Chem 62: 11416-11422 (2019)


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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H3 receptor expressed in Sf9 insect cell membranes after 60 mins by liquid scintillation counting ...


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


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


(Homo sapiens (Human))
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H3 receptor expressed in Sf9 insect cell membranes after 60 mins by liquid scintillation counting ...


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


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


(Homo sapiens (Human))
BDBM50519746
PNG
(CHEMBL4455698)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C26H36N2O5/c1-5-31-25(29)22-18(3)27-19(4)23(26(30)32-6-2)24(22)20-10-12-21(13-11-20)33-17-9-16-28-14-7-8-15-28/h10-13,24,27H,5-9,14-17H2,1-4H3
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83n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


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


J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50508998
PNG
(CHEMBL3747907)
Show SMILES Clc1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO/c19-17-9-11-18(12-10-17)21-16-8-3-1-2-5-13-20-14-6-4-7-15-20/h9-12H,1-8,13-16H2
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128n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50508998
PNG
(CHEMBL3747907)
Show SMILES Clc1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO/c19-17-9-11-18(12-10-17)21-16-8-3-1-2-5-13-20-14-6-4-7-15-20/h9-12H,1-8,13-16H2
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128n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533191
PNG
(CHEMBL3747892)
Show SMILES CC1CCCN(CCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C17H26ClNO/c1-15-6-5-12-19(14-15)11-3-2-4-13-20-17-9-7-16(18)8-10-17/h7-10,15H,2-6,11-14H2,1H3
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133n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533191
PNG
(CHEMBL3747892)
Show SMILES CC1CCCN(CCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C17H26ClNO/c1-15-6-5-12-19(14-15)11-3-2-4-13-20-17-9-7-16(18)8-10-17/h7-10,15H,2-6,11-14H2,1H3
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133n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533181
PNG
(CHEMBL3747896)
Show SMILES CC1CCCN(CCCCCCOc2cccc(Cl)c2)C1
Show InChI InChI=1S/C18H28ClNO/c1-16-8-7-12-20(15-16)11-4-2-3-5-13-21-18-10-6-9-17(19)14-18/h6,9-10,14,16H,2-5,7-8,11-13,15H2,1H3
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174n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533181
PNG
(CHEMBL3747896)
Show SMILES CC1CCCN(CCCCCCOc2cccc(Cl)c2)C1
Show InChI InChI=1S/C18H28ClNO/c1-16-8-7-12-20(15-16)11-4-2-3-5-13-21-18-10-6-9-17(19)14-18/h6,9-10,14,16H,2-5,7-8,11-13,15H2,1H3
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174n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533192
PNG
(CHEMBL3747908)
Show SMILES CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H30ClNO/c1-17-8-7-14-21(16-17)13-5-3-2-4-6-15-22-19-11-9-18(20)10-12-19/h9-12,17H,2-8,13-16H2,1H3
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180n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533192
PNG
(CHEMBL3747908)
Show SMILES CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H30ClNO/c1-17-8-7-14-21(16-17)13-5-3-2-4-6-15-22-19-11-9-18(20)10-12-19/h9-12,17H,2-8,13-16H2,1H3
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180n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533187
PNG
(CHEMBL3747901)
Show SMILES CC1CCN(CCCCCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H28ClNO/c1-16-10-13-20(14-11-16)12-4-2-3-5-15-21-18-8-6-17(19)7-9-18/h6-9,16H,2-5,10-15H2,1H3
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189n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533187
PNG
(CHEMBL3747901)
Show SMILES CC1CCN(CCCCCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H28ClNO/c1-16-10-13-20(14-11-16)12-4-2-3-5-15-21-18-8-6-17(19)7-9-18/h6-9,16H,2-5,10-15H2,1H3
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189n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533180
PNG
(CHEMBL3747910)
Show SMILES Clc1ccc(OCCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C19H30ClNO/c20-18-10-12-19(13-11-18)22-17-9-5-1-2-6-14-21-15-7-3-4-8-16-21/h10-13H,1-9,14-17H2
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203n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533180
PNG
(CHEMBL3747910)
Show SMILES Clc1ccc(OCCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C19H30ClNO/c20-18-10-12-19(13-11-18)22-17-9-5-1-2-6-14-21-15-7-3-4-8-16-21/h10-13H,1-9,14-17H2
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203n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533196
PNG
(CHEMBL3747900)
Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3
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205n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533196
PNG
(CHEMBL3747900)
Show SMILES CC1CCCN(CCCCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C18H28ClNO/c1-16-7-6-13-20(15-16)12-4-2-3-5-14-21-18-10-8-17(19)9-11-18/h8-11,16H,2-7,12-15H2,1H3
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205n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533198
PNG
(CHEMBL3747902)
Show SMILES Clc1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO/c19-17-9-11-18(12-10-17)21-16-8-4-3-7-15-20-13-5-1-2-6-14-20/h9-12H,1-8,13-16H2
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237n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533198
PNG
(CHEMBL3747902)
Show SMILES Clc1ccc(OCCCCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO/c19-17-9-11-18(12-10-17)21-16-8-4-3-7-15-20-13-5-1-2-6-14-20/h9-12H,1-8,13-16H2
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237n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533193
PNG
(CHEMBL3747895)
Show SMILES Clc1cccc(OCCCCCCN2CCCCC2)c1
Show InChI InChI=1S/C17H26ClNO/c18-16-9-8-10-17(15-16)20-14-7-2-1-4-11-19-12-5-3-6-13-19/h8-10,15H,1-7,11-14H2
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255n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533193
PNG
(CHEMBL3747895)
Show SMILES Clc1cccc(OCCCCCCN2CCCCC2)c1
Show InChI InChI=1S/C17H26ClNO/c18-16-9-8-10-17(15-16)20-14-7-2-1-4-11-19-12-5-3-6-13-19/h8-10,15H,1-7,11-14H2
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255n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533179
PNG
(CHEMBL3747899)
Show SMILES Clc1ccc(OCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2
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265n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533179
PNG
(CHEMBL3747899)
Show SMILES Clc1ccc(OCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2
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265n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533185
PNG
(CHEMBL3747898)
Show SMILES Clc1cccc(OCCCCCCN2CCCCCC2)c1
Show InChI InChI=1S/C18H28ClNO/c19-17-10-9-11-18(16-17)21-15-8-4-3-7-14-20-12-5-1-2-6-13-20/h9-11,16H,1-8,12-15H2
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293n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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


(Homo sapiens (Human))
BDBM50533185
PNG
(CHEMBL3747898)
Show SMILES Clc1cccc(OCCCCCCN2CCCCCC2)c1
Show InChI InChI=1S/C18H28ClNO/c19-17-10-9-11-18(16-17)21-15-8-4-3-7-14-20-12-5-1-2-6-13-20/h9-11,16H,1-8,12-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
293n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins ...


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


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