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4 similar compounds to monomer 50246287

Compile data set for download or QSAR
Wt: 377.4
BDBM50246241
Wt: 391.5
BDBM50246242
Wt: 405.5
BDBM50246243
Wt: 405.5
BDBM50246244

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50246241,50246242,50246243,50246244   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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0.156n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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0.281n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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0.281n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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0.375n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 0.870n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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UniChem

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PubMed
n/an/a 0.470n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair