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PubMed code 20727744

Compile data set for download or QSAR
Found 10 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))
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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Article
PubMed
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))
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))
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))
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))
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))
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))
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))
BDBM50327230
PNG
(2-(3-(piperidin-1-yl)propylthio)-5-(pyridin-4-yl)-...)
Show SMILES C(CSc1nnc(o1)-c1ccncc1)CN1CCCCC1
Show InChI InChI=1S/C15H20N4OS/c1-2-9-19(10-3-1)11-4-12-21-15-18-17-14(20-15)13-5-7-16-8-6-13/h5-8H,1-4,9-12H2
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187n/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))
BDBM50327228
PNG
(1-(4-methyl-2-(3-(piperidin-1-yl)propylthio)thiazo...)
Show SMILES CC(=O)c1sc(SCCCN2CCCCC2)nc1C
Show InChI InChI=1S/C14H22N2OS2/c1-11-13(12(2)17)19-14(15-11)18-10-6-9-16-7-4-3-5-8-16/h3-10H2,1-2H3
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>1.00E+3n/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))
BDBM50327231
PNG
(4-(1-(3-(piperidin-1-yl)propyl)-3-(3-(piperidin-1-...)
Show SMILES C(CSc1nc(-c2ccncc2)n(CCCN2CCCCC2)n1)CN1CCCCC1
Show InChI InChI=1S/C23H36N6S/c1-3-13-27(14-4-1)17-7-19-29-22(21-9-11-24-12-10-21)25-23(26-29)30-20-8-18-28-15-5-2-6-16-28/h9-12H,1-8,13-20H2
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n/an/an/a 18n/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [3H]Methylhistamine 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
* indicates data uncertainty>20%