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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'camelin' and Initial = 'jc'   
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))
BDBM50278495
PNG
(4-chloro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31ClN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.0680n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278350
PNG
(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.0940n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
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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0.160n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278449
PNG
(4-bromo-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pip...)
Show SMILES BrC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31BrN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.200n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278448
PNG
(4,4-difluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzy...)
Show SMILES FC1(F)CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H30F2N2O/c21-20(22)9-14-24(15-10-20)17-18-5-7-19(8-6-18)25-16-4-13-23-11-2-1-3-12-23/h5-8H,1-4,9-17H2
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0.240n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278445
PNG
(4-fluoro-1-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)p...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1
Show InChI InChI=1S/C19H29FN2O/c20-18-8-13-22(14-9-18)16-17-4-6-19(7-5-17)23-15-3-12-21-10-1-2-11-21/h4-7,18H,1-3,8-16H2
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0.260n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278400
PNG
((S)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)pheno...)
Show SMILES F[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1 |r|
Show InChI InChI=1S/C19H29FN2O/c20-18-9-13-22(16-18)15-17-5-7-19(8-6-17)23-14-4-12-21-10-2-1-3-11-21/h5-8,18H,1-4,9-16H2/t18-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278444
PNG
((R)-1-(3-(4-((3-fluoropyrrolidin-1-yl)methyl)pheno...)
Show SMILES F[C@@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1 |r|
Show InChI InChI=1S/C19H29FN2O/c20-18-9-13-22(16-18)15-17-5-7-19(8-6-17)23-14-4-12-21-10-2-1-3-11-21/h5-8,18H,1-4,9-16H2/t18-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278446
PNG
((R)-3-fluoro-1-(4-(3-(pyrrolidin-1-yl)propoxy)benz...)
Show SMILES F[C@@H]1CCN(Cc2ccc(OCCCN3CCCC3)cc2)C1 |r|
Show InChI InChI=1S/C18H27FN2O/c19-17-8-12-21(15-17)14-16-4-6-18(7-5-16)22-13-3-11-20-9-1-2-10-20/h4-7,17H,1-3,8-15H2/t17-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
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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0.580n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278496
PNG
(1-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperidin-4...)
Show SMILES CS(=O)(=O)OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C21H34N2O4S/c1-28(24,25)27-21-10-15-23(16-11-21)18-19-6-8-20(9-7-19)26-17-5-14-22-12-3-2-4-13-22/h6-9,21H,2-5,10-18H2,1H3
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0.840n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278447
PNG
(4-fluoro-1-(3-(4-(pyrrolidin-1-ylmethyl)phenoxy)pr...)
Show SMILES FC1CCN(CCCOc2ccc(CN3CCCC3)cc2)CC1
Show InChI InChI=1S/C19H29FN2O/c20-18-8-13-21(14-9-18)12-3-15-23-19-6-4-17(5-7-19)16-22-10-1-2-11-22/h4-7,18H,1-3,8-16H2
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0.990n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50378000
PNG
(CHEMBL1202078)
Show SMILES CC(C)(C)c1ccc(OCCCOCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C22H37NO2/c1-22(2,3)20-10-12-21(13-11-20)25-19-9-18-24-17-8-16-23-14-6-4-5-7-15-23/h10-13H,4-9,14-19H2,1-3H3
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2.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
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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2.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
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]Iodoproxyfran from human histamine H3 receptor expressed in rat C6 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
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



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
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



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
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



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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2.80n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377994
PNG
(CHEMBL1202072)
Show SMILES COc1cccc(OCCCOCCCN2CCCCCC2)c1
Show InChI InChI=1S/C19H31NO3/c1-21-18-9-6-10-19(17-18)23-16-8-15-22-14-7-13-20-11-4-2-3-5-12-20/h6,9-10,17H,2-5,7-8,11-16H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377996
PNG
(CHEMBL1202074)
Show SMILES CC1CCN(CCCOCCCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C18H28ClNO2/c1-16-8-11-20(12-9-16)10-2-13-21-14-3-15-22-18-6-4-17(19)5-7-18/h4-7,16H,2-3,8-15H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377990
PNG
(CHEMBL1202068)
Show SMILES COc1cccc(OCCOCCCN2CCC(C)CC2)c1
Show InChI InChI=1S/C18H29NO3/c1-16-7-10-19(11-8-16)9-4-12-21-13-14-22-18-6-3-5-17(15-18)20-2/h3,5-6,15-16H,4,7-14H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327227
PNG
(4,5-diphenyl-2-(3-(piperidin-1-yl)propylthio)thiaz...)
Show SMILES C(CSc1nc(c(s1)-c1ccccc1)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C23H26N2S2/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
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7.40n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377999
PNG
(CHEMBL1202077)
Show SMILES CC1CCN(CCCOCCCOc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C22H37NO2/c1-19-11-14-23(15-12-19)13-5-16-24-17-6-18-25-21-9-7-20(8-10-21)22(2,3)4/h7-10,19H,5-6,11-18H2,1-4H3
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7.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50133003
PNG
(4-(3-(piperidin-1-yl)propoxy)benzonitrile | 4-(3-P...)
Show SMILES N#Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H20N2O/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-12H2
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11n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327232
PNG
(4,5-diphenyl-2-(3-(piperidin-1-yl)propoxy)thiazole...)
Show SMILES C(COc1nc(c(s1)-c1ccccc1)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
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11.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327232
PNG
(4,5-diphenyl-2-(3-(piperidin-1-yl)propoxy)thiazole...)
Show SMILES C(COc1nc(c(s1)-c1ccccc1)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
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11.2n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377989
PNG
(CHEMBL1202067)
Show SMILES COc1cccc(OCCOCCCN2CCCC(C)C2)c1
Show InChI InChI=1S/C18H29NO3/c1-16-6-4-9-19(15-16)10-5-11-21-12-13-22-18-8-3-7-17(14-18)20-2/h3,7-8,14,16H,4-6,9-13,15H2,1-2H3
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12.5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377997
PNG
(CHEMBL1202075)
Show SMILES CC1CCCCN(CCCOCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H30ClNO2/c1-17-6-2-3-11-21(16-17)12-4-13-22-14-5-15-23-19-9-7-18(20)8-10-19/h7-10,17H,2-6,11-16H2,1H3
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12.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327314
PNG
(5-ethyl-2-(3-(piperidin-1-yl)propoxy)-4,5,6,7-tetr...)
Show SMILES CCN1CCc2sc(OCCCN3CCCCC3)nc2C1
Show InChI InChI=1S/C16H27N3OS/c1-2-18-11-7-15-14(13-18)17-16(21-15)20-12-6-10-19-8-4-3-5-9-19/h2-13H2,1H3
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14n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
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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14.8n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
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
Binding affinity to histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278398
PNG
(1-(3-(4-(fluoromethyl)phenoxy)propyl)piperidine | ...)
Show SMILES FCc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C15H22FNO/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-13H2
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17.3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377993
PNG
(CHEMBL1202071)
Show SMILES COc1cccc(OCCCOCCCN2CCC(C)CC2)c1
Show InChI InChI=1S/C19H31NO3/c1-17-8-11-20(12-9-17)10-4-13-22-14-5-15-23-19-7-3-6-18(16-19)21-2/h3,6-7,16-17H,4-5,8-15H2,1-2H3
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18.6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327233
PNG
(2-(3-(piperidin-1-yl)propoxy)-5-(3-(piperidin-1-yl...)
Show SMILES C(COc1nc2CCN(CCCN3CCCCC3)Cc2s1)CN1CCCCC1
Show InChI InChI=1S/C22H38N4OS/c1-3-10-24(11-4-1)14-7-15-26-17-9-20-21(19-26)28-22(23-20)27-18-8-16-25-12-5-2-6-13-25/h1-19H2
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20n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327316
PNG
(2-(3-(piperidin-1-yl)propoxy)-5-(3-(piperidin-1-yl...)
Show SMILES C(COc1nc2CN(CCCN3CCCCC3)CCc2s1)CN1CCCCC1
Show InChI InChI=1S/C22H38N4OS/c1-3-10-24(11-4-1)14-7-15-26-17-9-21-20(19-26)23-22(28-21)27-18-8-16-25-12-5-2-6-13-25/h1-19H2
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20n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327313
PNG
(5-methyl-2-(3-(piperidin-1-yl)propoxy)-4,5,6,7-tet...)
Show SMILES CN1CCc2sc(OCCCN3CCCCC3)nc2C1
Show InChI InChI=1S/C15H25N3OS/c1-17-10-6-14-13(12-17)16-15(20-14)19-11-5-9-18-7-3-2-4-8-18/h2-12H2,1H3
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24n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377991
PNG
(CHEMBL1202069)
Show SMILES CC1CCCN(CCCOCCOc2ccc(cc2)C(C)(C)C)C1
Show InChI InChI=1S/C21H35NO2/c1-18-7-5-12-22(17-18)13-6-14-23-15-16-24-20-10-8-19(9-11-20)21(2,3)4/h8-11,18H,5-7,12-17H2,1-4H3
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27.3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377995
PNG
(CHEMBL1202073)
Show SMILES CC1CCCN(CCCOCCCOc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C18H28ClNO2/c1-16-5-2-10-20(15-16)11-3-12-21-13-4-14-22-18-8-6-17(19)7-9-18/h6-9,16H,2-5,10-15H2,1H3
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27.9n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327229
PNG
(4,5-diphenyl-2-(3-(piperidin-1-yl)propylthio)oxazo...)
Show SMILES C(CSc1nc(c(o1)-c1ccccc1)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)26-23(24-21)27-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
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32n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327320
PNG
(4-methyl-5-phenyl-2-(3-(piperidin-1-yl)propoxy)thi...)
Show SMILES Cc1nc(OCCCN2CCCCC2)sc1-c1ccccc1
Show InChI InChI=1S/C18H24N2OS/c1-15-17(16-9-4-2-5-10-16)22-18(19-15)21-14-8-13-20-11-6-3-7-12-20/h2,4-5,9-10H,3,6-8,11-14H2,1H3
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41n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50278399
PNG
(1-(3-(4-(2-fluoroethyl)phenoxy)propyl)piperidine |...)
Show SMILES FCCc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C16H24FNO/c17-10-9-15-5-7-16(8-6-15)19-14-4-13-18-11-2-1-3-12-18/h5-8H,1-4,9-14H2
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43n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377992
PNG
(CHEMBL1202070)
Show SMILES COc1cccc(OCCCOCCCN2CCCC(C)C2)c1
Show InChI InChI=1S/C19H31NO3/c1-17-7-4-10-20(16-17)11-5-12-22-13-6-14-23-19-9-3-8-18(15-19)21-2/h3,8-9,15,17H,4-7,10-14,16H2,1-2H3
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49n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50377998
PNG
(CHEMBL1202076)
Show SMILES CC1CCCN(CCCOCCCOc2ccc(cc2)C(C)(C)C)C1
Show InChI InChI=1S/C22H37NO2/c1-19-8-5-13-23(18-19)14-6-15-24-16-7-17-25-21-11-9-20(10-12-21)22(2,3)4/h9-12,19H,5-8,13-18H2,1-4H3
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51n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50267431
PNG
(1-(3-(2-(3-methoxyphenoxy)ethoxy)propyl)azepane | ...)
Show SMILES COc1cccc(OCCOCCCN2CCCCCC2)c1
Show InChI InChI=1S/C18H29NO3/c1-20-17-8-6-9-18(16-17)22-15-14-21-13-7-12-19-10-4-2-3-5-11-19/h6,8-9,16H,2-5,7,10-15H2,1H3
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62n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 3037-42 (2009)


Article DOI: 10.1016/j.bmc.2009.03.014
BindingDB Entry DOI: 10.7270/Q2SF2X3H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327225
PNG
(5-phenyl-2-(4-(piperidin-1-yl)butyl)oxazole | CHEM...)
Show SMILES C(CCc1ncc(o1)-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C18H24N2O/c1-3-9-16(10-4-1)17-15-19-18(21-17)11-5-8-14-20-12-6-2-7-13-20/h1,3-4,9-10,15H,2,5-8,11-14H2
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63n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327319
PNG
(4-bromo-5-phenyl-2-(3-(piperidin-1-yl)propoxy)thia...)
Show SMILES Brc1nc(OCCCN2CCCCC2)sc1-c1ccccc1
Show InChI InChI=1S/C17H21BrN2OS/c18-16-15(14-8-3-1-4-9-14)22-17(19-16)21-13-7-12-20-10-5-2-6-11-20/h1,3-4,8-9H,2,5-7,10-13H2
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93n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327226
PNG
(5-(4-(piperidin-1-yl)butyl)-3-(pyridin-3-yl)-1,2,4...)
Show SMILES C(CCc1nc(no1)-c1cccnc1)CN1CCCCC1
Show InChI InChI=1S/C16H22N4O/c1-3-10-20(11-4-1)12-5-2-8-15-18-16(19-21-15)14-7-6-9-17-13-14/h6-7,9,13H,1-5,8,10-12H2
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110n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5883-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.109
BindingDB Entry DOI: 10.7270/Q2BZ6678
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327312
PNG
(2-(3-(dimethylamino)propoxy)-6,7-dihydrobenzo[d]th...)
Show SMILES CN(C)CCCOc1nc2c(CCCC2=O)s1
Show InChI InChI=1S/C12H18N2O2S/c1-14(2)7-4-8-16-12-13-11-9(15)5-3-6-10(11)17-12/h3-8H2,1-2H3
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153n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327321
PNG
(1-(5-methyl-2-(3-(piperidin-1-yl)propoxy)thiazol-4...)
Show SMILES CC(=O)c1nc(OCCCN2CCCCC2)sc1C
Show InChI InChI=1S/C14H22N2O2S/c1-11(17)13-12(2)19-14(15-13)18-10-6-9-16-7-4-3-5-8-16/h3-10H2,1-2H3
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155n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan human histamine H3 receptor


Bioorg Med Chem Lett 20: 5879-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.098
BindingDB Entry DOI: 10.7270/Q2KH0NJ3
More data for this
Ligand-Target Pair
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