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Compile Data Set for Download or QSAR

Found 407 hits with Last Name = 'hagenow' and Initial = 's'   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580518
PNG
(CHEMBL5089580)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1
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0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
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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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human H3 receptor


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580523
PNG
(CHEMBL5093850)
Show SMILES Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1
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0.310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580512
PNG
(CHEMBL5072724)
Show SMILES Nc1nc-2c(Cc3ccccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1
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0.490n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580514
PNG
(CHEMBL5093935)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1
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0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202986
PNG
(2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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0.880n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458224
PNG
(CHEMBL2297871)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2
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1.60n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human H3R expressed in CHOK1 cell membranes after 60 mins by gamma counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458219
PNG
(CHEMBL4209497)
Show SMILES O=C1\C(Cc2ccccc12)=C\c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H27NO2/c26-24-21(18-20-7-2-3-8-23(20)24)17-19-9-11-22(12-10-19)27-16-6-15-25-13-4-1-5-14-25/h2-3,7-12,17H,1,4-6,13-16,18H2/b21-17+
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2.10n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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2.10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)alpha-MeHA from rat brain H3 receptor


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458228
PNG
(CHEMBL4218833)
Show SMILES Fc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H26FNO2/c25-21-7-10-23-19(17-21)16-20(24(23)27)15-18-5-8-22(9-6-18)28-14-4-13-26-11-2-1-3-12-26/h5-10,15,17H,1-4,11-14,16H2/b20-15+
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2.20n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580516
PNG
(CHEMBL5094415)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070213
PNG
(3-(4-Chloro-benzyl)-5-[2-(1H-imidazol-4-yl)-ethyl]...)
Show SMILES Clc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1
Show InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)
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2.5n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from histamine H3 receptor in rat brain membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462785
PNG
(CHEMBL4245973)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nc(C)c(s1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H31N3O3S/c1-17-5-3-10-25(17)11-4-14-29-20-8-6-19(7-9-20)22-24-18(2)21(30-22)23(27)26-12-15-28-16-13-26/h6-9,17H,3-5,10-16H2,1-2H3/t17-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50525644
PNG
(CHEMBL4545912)
Show SMILES C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-7-17-16-18(8-9-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,8-9,16,20-21H,3-7,10-15H2
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2.60n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.08.016
BindingDB Entry DOI: 10.7270/Q24B34RZ
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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2.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor after 60 mins by gamma counting method


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50413824
PNG
(CHEMBL473093)
Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)CCCc2ccccc2)s1
Show InChI InChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293T cell membranes after 60 mins by liquid scintillatio...


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458234
PNG
(CHEMBL4212330)
Show SMILES O=C1\C(Cc2cc(OCCCN3CCCCC3)ccc12)=C\c1ccccc1
Show InChI InChI=1S/C24H27NO2/c26-24-21(16-19-8-3-1-4-9-19)17-20-18-22(10-11-23(20)24)27-15-7-14-25-12-5-2-6-13-25/h1,3-4,8-11,16,18H,2,5-7,12-15,17H2/b21-16+
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3.90n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50580522
PNG
(CHEMBL5082650)
Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
PDB
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462811
PNG
(CHEMBL4240664)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C17H19N3OS/c1-13-16(21-11-10-20-8-2-3-9-20)19-17(22-13)15-6-4-14(12-18)5-7-15/h4-7H,2-3,8-11H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580517
PNG
(CHEMBL5084903)
Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50580517
PNG
(CHEMBL5084903)
Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCCC4)cc-23)c(n1)-c1ccccc1
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4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520939
PNG
(CHEMBL4449790)
Show SMILES CCC(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-2-21(25)18-4-6-20(7-5-18)26-17-3-12-23-13-15-24(16-14-23)19-8-10-22-11-9-19/h4-11H,2-3,12-17H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462808
PNG
(CHEMBL4240159)
Show SMILES Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C21H27N3O2S/c1-16-19(22-20(27-16)17-8-4-2-5-9-17)26-21(25)24-14-10-18(11-15-24)23-12-6-3-7-13-23/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272040
PNG
(CHEMBL4129950)
Show SMILES C[C@@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O |r|
Show InChI InChI=1S/C25H35N3O3/c1-20(25(26)29)27-18-21-6-10-24(11-7-21)31-19-22-8-12-23(13-9-22)30-17-5-16-28-14-3-2-4-15-28/h6-13,20,27H,2-5,14-19H2,1H3,(H2,26,29)/t20-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-Nalpha-MeHA from human H3 receptor expressed in HEK293 cell membranes by scintillation counting method


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50580520
PNG
(CHEMBL5082920)
Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
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6.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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6.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor expressed in CHOK1 cells after 60 mins


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458227
PNG
(CHEMBL4205653)
Show SMILES Brc1ccc(COc2ccc3C(=O)\C(Cc3c2)=C\c2ccc(OCCCN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C31H32BrNO3/c32-27-9-5-24(6-10-27)22-36-29-13-14-30-25(21-29)20-26(31(30)34)19-23-7-11-28(12-8-23)35-18-4-17-33-15-2-1-3-16-33/h5-14,19,21H,1-4,15-18,20,22H2/b26-19+
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6.5n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50525645
PNG
(CHEMBL4553116)
Show SMILES C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-8-17-7-9-18(16-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,7,9,16,20-21H,3-6,8,10-15H2
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6.70n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.08.016
BindingDB Entry DOI: 10.7270/Q24B34RZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462821
PNG
(CHEMBL4247219)
Show SMILES Cc1sc(nc1OCc1ccc(CN2CCCCC2)cc1)-c1cnccn1
Show InChI InChI=1S/C21H24N4OS/c1-16-20(24-21(27-16)19-13-22-9-10-23-19)26-15-18-7-5-17(6-8-18)14-25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3
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7n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 26: 4034-4046 (2018)


Article DOI: 10.1016/j.bmc.2018.06.028
BindingDB Entry DOI: 10.7270/Q29026FG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50580515
PNG
(CHEMBL5088622)
Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
PDB
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7.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50316887
PNG
(2-amino-8-(2-morpholinoethoxy)-4-phenyl-5H-indeno[...)
Show SMILES Nc1nc2-c3cc(OCCN4CCOCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H22N4O3/c24-23-25-20(15-4-2-1-3-5-15)19-21(26-23)18-14-16(6-7-17(18)22(19)28)30-13-10-27-8-11-29-12-9-27/h1-7,14H,8-13H2,(H2,24,25,26)
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7.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405715
PNG
(CHEMBL4173079)
Show SMILES CCC(C)(C)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H21NO3S2/c1-12(11-24)18(21)20-10-16(9-17(20)19(22)23)25-15-7-6-13-4-2-3-5-14(13)8-15/h2-8,12,16-17,24H,9-11H2,1H3,(H,22,23)/t12-,16+,17+/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation countin...


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50525645
PNG
(CHEMBL4553116)
Show SMILES C#CCNC1CCc2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-8-17-7-9-18(16-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,7,9,16,20-21H,3-6,8,10-15H2
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>10n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.08.016
BindingDB Entry DOI: 10.7270/Q24B34RZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50525644
PNG
(CHEMBL4545912)
Show SMILES C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C20H28N2O/c1-2-11-21-20-10-7-17-16-18(8-9-19(17)20)23-15-6-14-22-12-4-3-5-13-22/h1,8-9,16,20-21H,3-7,10-15H2
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>10n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.08.016
BindingDB Entry DOI: 10.7270/Q24B34RZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520922
PNG
(CHEMBL4547780)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-17(24)18-3-5-20(6-4-18)25-16-2-11-22-12-14-23(15-13-22)19-7-9-21-10-8-19/h3-10H,2,11-16H2,1H3
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10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50580522
PNG
(CHEMBL5082650)
Show SMILES Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580513
PNG
(CHEMBL5094263)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCC4)ccc-23)c(n1)-c1ccccc1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580515
PNG
(CHEMBL5088622)
Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458224
PNG
(CHEMBL2297871)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2
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11n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50172447
PNG
((E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinoli...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC)cc3)ccc2n1
Show InChI InChI=1S/C26H30N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,31)/b12-7+
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11n/an/an/an/an/an/an/an/a



Pharmaceutical and Medicinal Chemistry, Freie Universität Berlin, Königin-Luise-Str. 2+4, 14195 Berlin, Germany.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysi...


ACS Med Chem Lett 8: 648-653 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00118
BindingDB Entry DOI: 10.7270/Q2MK6GBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458229
PNG
(CHEMBL4214411)
Show SMILES COc1ccc2C\C(=C/c3ccc(OCCCN4CCCCC4)cc3)C(=O)c2c1
Show InChI InChI=1S/C25H29NO3/c1-28-23-11-8-20-17-21(25(27)24(20)18-23)16-19-6-9-22(10-7-19)29-15-5-14-26-12-3-2-4-13-26/h6-11,16,18H,2-5,12-15,17H2,1H3/b21-16+
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11n/an/an/an/an/an/an/an/a



Heinrich Heine University Duesseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


Eur J Med Chem 148: 487-497 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.015
BindingDB Entry DOI: 10.7270/Q2Z89G1Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50458224
PNG
(CHEMBL2297871)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
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



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111785
BindingDB Entry DOI: 10.7270/Q2Q81HF9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50580515
PNG
(CHEMBL5088622)
Show SMILES Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50580520
PNG
(CHEMBL5082920)
Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
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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14n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520936
PNG
(CHEMBL4593213)
Show SMILES CCC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C22H29N3O2/c1-2-22(26)19-5-7-21(8-6-19)27-18-4-3-13-24-14-16-25(17-15-24)20-9-11-23-12-10-20/h5-12H,2-4,13-18H2,1H3
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15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405713
PNG
(CHEMBL4173854)
Show SMILES CC(C)(C)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C15H18ClNO3S2/c1-9(8-21)14(18)17-7-12(6-13(17)15(19)20)22-11-4-2-10(16)3-5-11/h2-5,9,12-13,21H,6-8H2,1H3,(H,19,20)/t9-,12+,13+/m1/s1
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16n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation countin...


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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17n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from rat brain cortex H3 receptor after 60 mins by gamma counting method


Bioorg Med Chem 26: 2573-2585 (2018)


Article DOI: 10.1016/j.bmc.2018.04.023
BindingDB Entry DOI: 10.7270/Q2TQ641P
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50580520
PNG
(CHEMBL5082920)
Show SMILES Nc1nc2-c3cc(OCCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
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