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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'reiner' 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
D(3) dopamine receptor


(Homo sapiens)
BDBM50610174
PNG
(CHEMBL4293814)
Show SMILES C(COc1ccc2ccccc2c1)CN1CCN(CC1)c1ccccc1
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0.340n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human histamine H3 receptor


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610173
PNG
(CHEMBL5280702)
Show SMILES CN1CCN(CCCOc2ccc3ccccc3c2)CC1
PDB

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0.700n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610180
PNG
(CHEMBL5276588)
Show SMILES O=C(OCCCN1CCN(CC1)c1ccccc1)c1cccc2ccccc12
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0.860n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610178
PNG
(CHEMBL5289468)
Show SMILES C(COc1cccc2ccccc12)CN1CCN(CC1)c1ccccc1
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0.920n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610177
PNG
(CHEMBL5268329)
Show SMILES O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1
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0.920n/an/an/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587293
PNG
(CHEMBL5090291)
Show SMILES C(COc1ccc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc1)CN1CCCCC1 |r|
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610182
PNG
(CHEMBL5287235)
Show SMILES O=C(OCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587292
PNG
(CHEMBL5082819)
Show SMILES C(COc1ccc(C[C@H]2CNCCN2)cc1)CN1CCCCC1 |r|
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
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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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at histamine H3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587298
PNG
(CHEMBL5092241)
Show SMILES O=C1N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C(=O)N[C@H]1Cc1ccccc1 |r|
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
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))
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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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at histamine H3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
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))
BDBM50587300
PNG
(CHEMBL5093401)
Show SMILES O=C(N1CCNC(=O)C1)c1ccc(OCCCN2CCCCC2)cc1
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2.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610169
PNG
(CHEMBL5270151)
Show SMILES CN1CCN(CCCOC(=O)c2ccc3ccccc3c2)CC1
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3.10n/an/an/an/an/an/an/an/a


TBA



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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))
BDBM50587294
PNG
(CHEMBL5092036)
Show SMILES CC(=O)N1CC(=O)N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C1=O
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3.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587296
PNG
(CHEMBL5079959)
Show SMILES O=c1[nH]\c(=C/c2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]\c1=C/c1ccccc1
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3.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
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))
BDBM50587297
PNG
(CHEMBL5086337)
Show SMILES CC(=O)N1[C@@H](Cc2ccccc2)C(=O)N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C1=O |r|
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4.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587299
PNG
(CHEMBL5077020)
Show SMILES O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)C(=O)CN1
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4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587302
PNG
(CHEMBL5080274)
Show SMILES O=C(N1CCN(Cc2ccccc2)C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1
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4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
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
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))
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
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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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor stably transfected in HEK-293T cells membrane incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112150
BindingDB Entry DOI: 10.7270/Q2C53QGV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610176
PNG
(CHEMBL5265920)
Show SMILES O=C(NCCCN1CCN(CC1)c1ccncc1)c1cc2ccccc2o1
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>10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610179
PNG
(CHEMBL5282002)
Show SMILES CN1CCN(CCCOC(=O)c2cccc3ccccc23)CC1
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>10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610181
PNG
(CHEMBL5270288)
Show SMILES CN1CCN(CCCOC(=O)c2cc3ccccc3o2)CC1
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>10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610170
PNG
(CHEMBL5278711)
Show SMILES O=C(OCCCN1CCN(CC1)c1ccncc1)c1cc2ccccc2o1
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>10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50610175
PNG
(CHEMBL5283987)
Show SMILES CN1CCN(CCOC(=O)c2ccc3ccccc3c2)CC1
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>10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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))
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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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50587301
PNG
(CHEMBL5094225)
Show SMILES O=C1CN(Cc2ccc(OCCCN3CCCCC3)cc2)CCN1Cc1ccccc1
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
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))
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


TBA



Citation and Details
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))
BDBM50272087
PNG
(CHEMBL4125793)
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-/m0/s1
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21n/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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50462792
PNG
(CHEMBL4248654)
Show SMILES Cc1sc(nc1OCCCN1CCCCC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H23N3OS/c1-15-18(23-13-5-12-22-10-3-2-4-11-22)21-19(24-15)17-8-6-16(14-20)7-9-17/h6-9H,2-5,10-13H2,1H3
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21n/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))
BDBM50462791
PNG
(CHEMBL4243928)
Show SMILES Cc1sc(nc1OCCN1CCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN2OS/c1-12-15(20-11-10-19-8-2-3-9-19)18-16(21-12)13-4-6-14(17)7-5-13/h4-7H,2-3,8-11H2,1H3
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22n/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))
BDBM50587295
PNG
(CHEMBL5087354)
Show SMILES O=C1CNC(=O)\C(N1)=C\c1ccc(OCCCN2CCCCC2)cc1
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competitio...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116462
BindingDB Entry DOI: 10.7270/Q2DR30DF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50272054
PNG
(CHEMBL4129589)
Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1
Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2
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22n/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 human H3 receptor expressed in HEK293 cell membranes after 90 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))
BDBM50272075
PNG
(CHEMBL4126298)
Show SMILES CC1CCCN(CCCCCOc2cccc3ccccc23)C1
Show InChI InChI=1S/C21H29NO/c1-18-9-8-15-22(17-18)14-5-2-6-16-23-21-13-7-11-19-10-3-4-12-20(19)21/h3-4,7,10-13,18H,2,5-6,8-9,14-17H2,1H3
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33n/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 human H3 receptor expressed in HEK293 cell membranes after 90 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
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