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PubMed code 18774720

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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))
BDBM50247055
PNG
(1-(3-(3-phenylpropoxy)propyl)piperidine | CHEMBL46...)
Show SMILES C(COCCCc1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C17H27NO/c1-3-9-17(10-4-1)11-7-15-19-16-8-14-18-12-5-2-6-13-18/h1,3-4,9-10H,2,5-8,11-16H2
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PubMed
3.10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor expressed in rat C6 cells


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247148
PNG
(1-[3-(4-tert-Butylphenoxy)propyl]-4-piperidino-pip...)
Show SMILES CC(C)(C)c1ccc(OCCCN2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C23H38N2O/c1-23(2,3)20-8-10-22(11-9-20)26-19-7-14-24-17-12-21(13-18-24)25-15-5-4-6-16-25/h8-11,21H,4-7,12-19H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247120
PNG
(1-[2-(3-Methoxyphenoxy)ethyl]-4-piperidino-piperid...)
Show SMILES COc1cccc(OCCN2CCC(CC2)N2CCCCC2)c1
Show InChI InChI=1S/C19H30N2O2/c1-22-18-6-5-7-19(16-18)23-15-14-20-12-8-17(9-13-20)21-10-3-2-4-11-21/h5-7,16-17H,2-4,8-15H2,1H3
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132n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247122
PNG
(1-[2-(3-Trifluoromethylphenoxy)ethyl]-4-piperidino...)
Show SMILES FC(F)(F)c1cccc(OCCN2CCC(CC2)N2CCCCC2)c1
Show InChI InChI=1S/C19H27F3N2O/c20-19(21,22)16-5-4-6-18(15-16)25-14-13-23-11-7-17(8-12-23)24-9-2-1-3-10-24/h4-6,15,17H,1-3,7-14H2
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164n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247125
PNG
(1-[3-(4-Chlorophenoxy)propyl]-4-piperidino-piperid...)
Show SMILES Clc1ccc(OCCCN2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C19H29ClN2O/c20-17-5-7-19(8-6-17)23-16-4-11-21-14-9-18(10-15-21)22-12-2-1-3-13-22/h5-8,18H,1-4,9-16H2
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165n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247124
PNG
(1-[2-(4-Chlorophenoxy)ethyl]-4-piperidino-piperidi...)
Show SMILES Clc1ccc(OCCN2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C18H27ClN2O/c19-16-4-6-18(7-5-16)22-15-14-20-12-8-17(9-13-20)21-10-2-1-3-11-21/h4-7,17H,1-3,8-15H2
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176n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247093
PNG
(1-[2-(3-Chlorophenoxy)ethyl]-4-piperidino-piperidi...)
Show SMILES Clc1cccc(OCCN2CCC(CC2)N2CCCCC2)c1
Show InChI InChI=1S/C18H27ClN2O/c19-16-5-4-6-18(15-16)22-14-13-20-11-7-17(8-12-20)21-9-2-1-3-10-21/h4-6,15,17H,1-3,7-14H2
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235n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247089
PNG
(4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine | C...)
Show SMILES CCCC1CCN(CCCOCCCc2ccccc2)CC1
Show InChI InChI=1S/C20H33NO/c1-2-8-19-12-15-21(16-13-19)14-7-18-22-17-6-11-20-9-4-3-5-10-20/h3-5,9-10,19H,2,6-8,11-18H2,1H3
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249n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247090
PNG
(4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine | CH...)
Show SMILES CCCCC1CCN(CCCOCCCc2ccccc2)CC1
Show InChI InChI=1S/C21H35NO/c1-2-3-9-21-13-16-22(17-14-21)15-8-19-23-18-7-12-20-10-5-4-6-11-20/h4-6,10-11,21H,2-3,7-9,12-19H2,1H3
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274n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247123
PNG
(1-[2-(4-Methylphenoxy)ethyl]-4-piperidino-piperidi...)
Show SMILES Cc1ccc(OCCN2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C19H30N2O/c1-17-5-7-19(8-6-17)22-16-15-20-13-9-18(10-14-20)21-11-3-2-4-12-21/h5-8,18H,2-4,9-16H2,1H3
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300n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247091
PNG
(4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine | CH...)
Show SMILES C(COCCCc1ccccc1)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H33NO/c1-3-9-22(10-4-1)13-7-19-26-20-8-16-25-17-14-24(15-18-25)21-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21H2
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326n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247092
PNG
(2-[3-(3-phenylpropoxy)propyl]decahydroisoquinoline...)
Show SMILES C(COCCCc1ccccc1)CN1CCC2CCCCC2C1
Show InChI InChI=1S/C21H33NO/c1-2-8-19(9-3-1)10-6-16-23-17-7-14-22-15-13-20-11-4-5-12-21(20)18-22/h1-3,8-9,20-21H,4-7,10-18H2
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393n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247088
PNG
(2-[3-(3-Phenylpropoxy)propyl]-1,2,3,4-tetrahydro-i...)
Show SMILES C(COCCCc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-8-19(9-3-1)10-6-16-23-17-7-14-22-15-13-20-11-4-5-12-21(20)18-22/h1-5,8-9,11-12H,6-7,10,13-18H2
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560n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247121
PNG
(1-[3-(3-Methoxyphenoxy)propyl]-4-piperidino-piperi...)
Show SMILES COc1cccc(OCCCN2CCC(CC2)N2CCCCC2)c1
Show InChI InChI=1S/C20H32N2O2/c1-23-19-7-5-8-20(17-19)24-16-6-11-21-14-9-18(10-15-21)22-12-3-2-4-13-22/h5,7-8,17-18H,2-4,6,9-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 16: 8729-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.071
BindingDB Entry DOI: 10.7270/Q2NC612W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%