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PubMed code 12729661

Compile data set for download or QSAR
Found 20 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))
BDBM50120543
PNG
(7-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1ccn2cc(nc2c1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N3O/c1-18-10-14-25-17-21(23-22(25)16-18)19-6-8-20(9-7-19)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-17H,2-5,11-13,15H2,1H3
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PubMed
2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127832
PNG
(3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1c(cc2ccccn12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-23(18-21-8-3-6-16-25(19)21)20-9-11-22(12-10-20)26-17-7-15-24-13-4-2-5-14-24/h3,6,8-12,16,18H,2,4-5,7,13-15,17H2,1H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127844
PNG
(3-Ethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-in...)
Show SMILES CCc1c(cc2ccccn12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H30N2O/c1-2-24-23(19-21-9-4-7-17-26(21)24)20-10-12-22(13-11-20)27-18-8-16-25-14-5-3-6-15-25/h4,7,9-13,17,19H,2-3,5-6,8,14-16,18H2,1H3
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50120542
PNG
(2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-imidazo[1,...)
Show SMILES C(COc1ccc(cc1)-c1cn2ccccc2n1)CN1CCCCC1
Show InChI InChI=1S/C21H25N3O/c1-3-12-23(13-4-1)14-6-16-25-19-10-8-18(9-11-19)20-17-24-15-5-2-7-21(24)22-20/h2,5,7-11,15,17H,1,3-4,6,12-14,16H2
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6n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127831
PNG
(2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-pyrazolo[1...)
Show SMILES C(COc1ccc(cc1)-c1cc2ccccn2n1)CN1CCCCC1
Show InChI InChI=1S/C21H25N3O/c1-3-12-23(13-4-1)14-6-16-25-20-10-8-18(9-11-20)21-17-19-7-2-5-15-24(19)22-21/h2,5,7-11,15,17H,1,3-4,6,12-14,16H2
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127838
PNG
(1-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-...)
Show SMILES Cc1c(cn2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1C
Show InChI InChI=1S/C24H30N2O/c1-19-17-21(27-16-8-14-25-12-5-3-6-13-25)10-11-22(19)23-18-26-15-7-4-9-24(26)20(23)2/h4,7,9-11,15,17-18H,3,5-6,8,12-14,16H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127841
PNG
(2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-indolizine...)
Show SMILES C(COc1ccc(cc1)-c1cc2ccccn2c1)CN1CCCCC1
Show InChI InChI=1S/C22H26N2O/c1-3-12-23(13-4-1)14-6-16-25-22-10-8-19(9-11-22)20-17-21-7-2-5-15-24(21)18-20/h2,5,7-11,15,17-18H,1,3-4,6,12-14,16H2
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13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127834
PNG
(1-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1c(cn2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-22(18-25-16-6-3-8-23(19)25)20-9-11-21(12-10-20)26-17-7-15-24-13-4-2-5-14-24/h3,6,8-12,16,18H,2,4-5,7,13-15,17H2,1H3
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127839
PNG
(1-Methanesulfonyl-2-[4-(3-piperidin-1-yl-propoxy)-...)
Show SMILES CS(=O)(=O)n1c(cc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O3S/c1-29(26,27)25-22-9-4-3-8-20(22)18-23(25)19-10-12-21(13-11-19)28-17-7-16-24-14-5-2-6-15-24/h3-4,8-13,18H,2,5-7,14-17H2,1H3
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16n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127840
PNG
(1-Ethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-in...)
Show SMILES CCc1c(cn2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H30N2O/c1-2-22-23(19-26-17-7-4-9-24(22)26)20-10-12-21(13-11-20)27-18-8-16-25-14-5-3-6-15-25/h4,7,9-13,17,19H,2-3,5-6,8,14-16,18H2,1H3
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127830
PNG
(6-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1ccc2cc(cn2c1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-6-9-22-16-21(18-25(22)17-19)20-7-10-23(11-8-20)26-15-5-14-24-12-3-2-4-13-24/h6-11,16-18H,2-5,12-15H2,1H3
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28n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127835
PNG
(1-Phenethyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl...)
Show SMILES C(COc1ccc(cc1)-c1cn2ccccc2c1CCc1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C30H34N2O/c1-3-10-25(11-4-1)13-18-28-29(24-32-22-8-5-12-30(28)32)26-14-16-27(17-15-26)33-23-9-21-31-19-6-2-7-20-31/h1,3-5,8,10-12,14-17,22,24H,2,6-7,9,13,18-21,23H2
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37n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127846
PNG
(7-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1ccn2cc(cc2c1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-10-14-25-18-21(17-22(25)16-19)20-6-8-23(9-7-20)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-18H,2-5,11-13,15H2,1H3
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127847
PNG
(1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES C(COc1ccc(cc1)-c1cn2ccccc2c1-c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C28H30N2O/c1-3-10-24(11-4-1)28-26(22-30-20-8-5-12-27(28)30)23-13-15-25(16-14-23)31-21-9-19-29-17-6-2-7-18-29/h1,3-5,8,10-16,20,22H,2,6-7,9,17-19,21H2
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127833
PNG
(8-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1cccn2cc(cc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-7-5-15-25-18-21(17-23(19)25)20-8-10-22(11-9-20)26-16-6-14-24-12-3-2-4-13-24/h5,7-11,15,17-18H,2-4,6,12-14,16H2,1H3
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127843
PNG
(5-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1cccc2cc(cn12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H28N2O/c1-19-7-5-8-22-17-21(18-25(19)22)20-9-11-23(12-10-20)26-16-6-15-24-13-3-2-4-14-24/h5,7-12,17-18H,2-4,6,13-16H2,1H3
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46n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127837
PNG
(2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-1H-indole ...)
Show SMILES C(COc1ccc(cc1)-c1cc2ccccc2[nH]1)CN1CCCCC1
Show InChI InChI=1S/C22H26N2O/c1-4-13-24(14-5-1)15-6-16-25-20-11-9-18(10-12-20)22-17-19-7-2-3-8-21(19)23-22/h2-3,7-12,17,23H,1,4-6,13-16H2
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47n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127845
PNG
(2-[2-Methyl-4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1-c1cc2ccccn2c1
Show InChI InChI=1S/C23H28N2O/c1-19-16-22(26-15-7-13-24-11-4-2-5-12-24)9-10-23(19)20-17-21-8-3-6-14-25(21)18-20/h3,6,8-10,14,16-18H,2,4-5,7,11-13,15H2,1H3
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152n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127836
PNG
(2-[2-(3-Piperidin-1-yl-propoxy)-phenyl]-indolizine...)
Show SMILES C(COc1ccccc1-c1cc2ccccn2c1)CN1CCCCC1
Show InChI InChI=1S/C22H26N2O/c1-5-12-23(13-6-1)14-8-16-25-22-11-3-2-10-21(22)19-17-20-9-4-7-15-24(20)18-19/h2-4,7,9-11,15,17-18H,1,5-6,8,12-14,16H2
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236n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127842
PNG
(2-[3-(3-Piperidin-1-yl-propoxy)-phenyl]-indolizine...)
Show SMILES C(COc1cccc(c1)-c1cc2ccccn2c1)CN1CCCCC1
Show InChI InChI=1S/C22H26N2O/c1-3-11-23(12-4-1)13-7-15-25-22-10-6-8-19(17-22)20-16-21-9-2-5-14-24(21)18-20/h2,5-6,8-10,14,16-18H,1,3-4,7,11-13,15H2
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308n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%