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10 similar compounds to monomer 50186283

Compile data set for download or QSAR
Wt: 316.4
BDBM50186277
Wt: 316.4
BDBM50186291
Wt: 370.5
BDBM50186292
Wt: 370.5
BDBM50186296
Wt: 274.4
BDBM50186293
Wt: 302.4
BDBM50186308
Wt: 302.4
BDBM50186269
Wt: 394.5
BDBM50198590
Wt: 364.5
BDBM50013719
Wt: 433.5
BDBM50032252

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50186277,50186291,50186292,50186296,50186293,50186308,50186269,50198590,50013719,50032252   
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))
BDBM50186291
PNG
(2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-...)
Show SMILES CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1
Show InChI InChI=1S/C20H32N2O/c1-17(2)22-13-9-18-7-8-20(15-19(18)16-22)23-14-6-12-21-10-4-3-5-11-21/h7-8,15,17H,3-6,9-14,16H2,1-2H3
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0.170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50186269
PNG
(2-ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetr...)
Show SMILES CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
Show InChI InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50186292
PNG
(2-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)...)
Show SMILES C(COc1ccc2CCN(CC3CCCCC3)Cc2c1)CN1CCCCC1
Show InChI InChI=1S/C24H38N2O/c1-3-8-21(9-4-1)19-26-16-12-22-10-11-24(18-23(22)20-26)27-17-7-15-25-13-5-2-6-14-25/h10-11,18,21H,1-9,12-17,19-20H2
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0.350n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50186292
PNG
(2-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)...)
Show SMILES C(COc1ccc2CCN(CC3CCCCC3)Cc2c1)CN1CCCCC1
Show InChI InChI=1S/C24H38N2O/c1-3-8-21(9-4-1)19-26-16-12-22-10-11-24(18-23(22)20-26)27-17-7-15-25-13-5-2-6-14-25/h10-11,18,21H,1-9,12-17,19-20H2
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0.460n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50186293
PNG
(7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydrois...)
Show SMILES C(COc1ccc2CCNCc2c1)CN1CCCCC1
Show InChI InChI=1S/C17H26N2O/c1-2-9-19(10-3-1)11-4-12-20-17-6-5-15-7-8-18-14-16(15)13-17/h5-6,13,18H,1-4,7-12,14H2
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0.600n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50186269
PNG
(2-ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetr...)
Show SMILES CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
Show InChI InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
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0.640n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50186291
PNG
(2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-...)
Show SMILES CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1
Show InChI InChI=1S/C20H32N2O/c1-17(2)22-13-9-18-7-8-20(15-19(18)16-22)23-14-6-12-21-10-4-3-5-11-21/h7-8,15,17H,3-6,9-14,16H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50186296
PNG
(2-(cyclohexylmethyl)-6-(3-(piperidin-1-yl)propoxy)...)
Show SMILES C(COc1ccc2CN(CC3CCCCC3)CCc2c1)CN1CCCCC1
Show InChI InChI=1S/C24H38N2O/c1-3-8-21(9-4-1)19-26-16-12-22-18-24(11-10-23(22)20-26)27-17-7-15-25-13-5-2-6-14-25/h10-11,18,21H,1-9,12-17,19-20H2
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1.01n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50013719
PNG
(CHEMBL129785)
Show SMILES C(COc1ccc(CN2CCc3ccccc3C2)cc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2O/c1-4-14-25(15-5-1)16-6-18-27-24-11-9-21(10-12-24)19-26-17-13-22-7-2-3-8-23(22)20-26/h2-3,7-12H,1,4-6,13-20H2
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1.70n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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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 at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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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 at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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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 at human histamine H3


Bioorg Med Chem Lett 17: 5325-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50013719
PNG
(CHEMBL129785)
Show SMILES C(COc1ccc(CN2CCc3ccccc3C2)cc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2O/c1-4-14-25(15-5-1)16-6-18-27-24-11-9-21(10-12-24)19-26-17-13-22-7-2-3-8-23(22)20-26/h2-3,7-12H,1,4-6,13-20H2
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3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 5325-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50186277
PNG
(1-(7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoqui...)
Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1
Show InChI InChI=1S/C19H28N2O2/c1-16(22)21-12-8-17-6-7-19(14-18(17)15-21)23-13-5-11-20-9-3-2-4-10-20/h6-7,14H,2-5,8-13,15H2,1H3
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19.4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50186277
PNG
(1-(7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoqui...)
Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1
Show InChI InChI=1S/C19H28N2O2/c1-16(22)21-12-8-17-6-7-19(14-18(17)15-21)23-13-5-11-20-9-3-2-4-10-20/h6-7,14H,2-5,8-13,15H2,1H3
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36.7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50186308
PNG
(2-ethyl-8-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetr...)
Show SMILES CCN1CCc2cccc(OCCCN3CCCCC3)c2C1
Show InChI InChI=1S/C19H30N2O/c1-2-20-14-10-17-8-6-9-19(18(17)16-20)22-15-7-13-21-11-4-3-5-12-21/h6,8-9H,2-5,7,10-16H2,1H3
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Article
PubMed
95.2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50032252
PNG
(CHEMBL3352982)
Show SMILES COc1ccc(cc1)-c1ccc(OCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C27H31NO4/c1-29-24-9-5-20(6-10-24)21-7-11-25(12-8-21)32-16-4-14-28-15-13-22-17-26(30-2)27(31-3)18-23(22)19-28/h5-12,17-18H,4,13-16,19H2,1-3H3
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Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...


J Med Chem 57: 9983-94 (2014)


Article DOI: 10.1021/jm501640e
BindingDB Entry DOI: 10.7270/Q2K9394N
More data for this
Ligand-Target Pair