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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50037248   
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))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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PubMed
2.40n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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2.80n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126902
PNG
(1-[4-(4-Pyrrolidin-1-ylmethyl-benzyloxy)-phenyl]-e...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C20H23NO2/c1-16(22)19-8-10-20(11-9-19)23-15-18-6-4-17(5-7-18)14-21-12-2-3-13-21/h4-11H,2-3,12-15H2,1H3
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26n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126878
PNG
(1-[4-(4-Imidazol-1-yl-phenoxymethyl)-benzyl]-piper...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H25N3O/c1-2-13-24(14-3-1)16-19-4-6-20(7-5-19)17-26-22-10-8-21(9-11-22)25-15-12-23-18-25/h4-12,15,18H,1-3,13-14,16-17H2
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27n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126900
PNG
(1-[4-(4-Azepan-1-ylmethyl-benzyloxy)-phenyl]-ethan...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C22H27NO2/c1-18(24)21-10-12-22(13-11-21)25-17-20-8-6-19(7-9-20)16-23-14-4-2-3-5-15-23/h6-13H,2-5,14-17H2,1H3
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37n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50089295
PNG
(1-(5-(4-nitrophenoxy)pentyl)pyrrolidine | 1-[5-(4-...)
Show SMILES [O-][N+](=O)c1ccc(OCCCCCN2CCCC2)cc1
Show InChI InChI=1S/C15H22N2O3/c18-17(19)14-6-8-15(9-7-14)20-13-5-1-2-10-16-11-3-4-12-16/h6-9H,1-5,10-13H2
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39n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vivo binding affinity was determined by measuring the displacement curves of [125I]iodoproxyfan in human Histamine H3 receptor antagonist with rel...


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126903
PNG
(1-[4-(4-Chloro-3-methyl-phenoxymethyl)-benzyl]-pip...)
Show SMILES Cc1cc(OCc2ccc(CN3CCCCC3)cc2)ccc1Cl
Show InChI InChI=1S/C20H24ClNO/c1-16-13-19(9-10-20(16)21)23-15-18-7-5-17(6-8-18)14-22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14-15H2,1H3
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42n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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46n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126895
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(N=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-17(22-24)20-9-11-21(12-10-20)25-16-19-7-5-18(6-8-19)15-23-13-3-2-4-14-23/h5-12,17H,2-4,13-16H2,1H3
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55n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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60n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126886
PNG
(CHEMBL284528 | Cyclopropyl-[4-(4-piperidin-1-ylmet...)
Show SMILES O=C(C1CC1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C23H27NO2/c25-23(20-8-9-20)21-10-12-22(13-11-21)26-17-19-6-4-18(5-7-19)16-24-14-2-1-3-15-24/h4-7,10-13,20H,1-3,8-9,14-17H2
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66n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
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84n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126883
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxymethyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18N2O2/c1-12(18)14-6-4-13(5-7-14)10-19-8-2-3-15-9-16-11-17-15/h4-7,9,11H,2-3,8,10H2,1H3,(H,16,17)
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87n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126890
PNG
(1-[4-(Indan-5-yloxymethyl)-benzyl]-piperidine; com...)
Show SMILES C(Oc1ccc2CCCc2c1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H27NO/c1-2-13-23(14-3-1)16-18-7-9-19(10-8-18)17-24-22-12-11-20-5-4-6-21(20)15-22/h7-12,15H,1-6,13-14,16-17H2
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87n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126905
PNG
(1-[4-(4-Propoxy-phenoxymethyl)-benzyl]-piperidine;...)
Show SMILES CCCOc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C22H29NO2/c1-2-16-24-21-10-12-22(13-11-21)25-18-20-8-6-19(7-9-20)17-23-14-4-3-5-15-23/h6-13H,2-5,14-18H2,1H3
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88n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126898
PNG
(CHEMBL288431 | Phenyl-[4-(4-piperidin-1-ylmethyl-b...)
Show SMILES C(Nc1ccccc1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H30N2O/c1-3-7-25(8-4-1)27-19-22-13-15-26(16-14-22)29-21-24-11-9-23(10-12-24)20-28-17-5-2-6-18-28/h1,3-4,7-16,27H,2,5-6,17-21H2
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90n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126879
PNG
(1-[4-(4-Diethylaminomethyl-benzyloxy)-phenyl]-etha...)
Show SMILES CCN(CC)Cc1ccc(COc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C20H25NO2/c1-4-21(5-2)14-17-6-8-18(9-7-17)15-23-20-12-10-19(11-13-20)16(3)22/h6-13H,4-5,14-15H2,1-3H3
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91n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126881
PNG
(1-[4-(5,6,7,8-Tetrahydro-naphthalen-2-yloxymethyl)...)
Show SMILES C(Oc1ccc2CCCCc2c1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H29NO/c1-4-14-24(15-5-1)17-19-8-10-20(11-9-19)18-25-23-13-12-21-6-2-3-7-22(21)16-23/h8-13,16H,1-7,14-15,17-18H2
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92n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126891
PNG
(1-[4-(4-Chloro-3-fluoro-phenoxymethyl)-benzyl]-pip...)
Show SMILES Fc1cc(OCc2ccc(CN3CCCCC3)cc2)ccc1Cl
Show InChI InChI=1S/C19H21ClFNO/c20-18-9-8-17(12-19(18)21)23-14-16-6-4-15(5-7-16)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13-14H2
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95n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126882
PNG
(1-[4-(4-Iodo-phenoxymethyl)-benzyl]-piperidine; co...)
Show SMILES Ic1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C19H22INO/c20-18-8-10-19(11-9-18)22-15-17-6-4-16(5-7-17)14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2
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107n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126893
PNG
(1-[4-(4-Bromo-phenoxymethyl)-benzyl]-piperidine; c...)
Show SMILES Brc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C19H22BrNO/c20-18-8-10-19(11-9-18)22-15-17-6-4-16(5-7-17)14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2
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114n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126901
PNG
(1-[4-(4-Methoxy-phenoxymethyl)-benzyl]-piperidine;...)
Show SMILES COc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C20H25NO2/c1-22-19-9-11-20(12-10-19)23-16-18-7-5-17(6-8-18)15-21-13-3-2-4-14-21/h5-12H,2-4,13-16H2,1H3
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119n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126885
PNG
(1-[4-(4-Fluoro-phenoxymethyl)-benzyl]-piperidine; ...)
Show SMILES Fc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C19H22FNO/c20-18-8-10-19(11-9-18)22-15-17-6-4-16(5-7-17)14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2
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123n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126887
PNG
(1-[4-(4-Chloro-phenoxymethyl)-benzyl]-piperidine; ...)
Show SMILES Clc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C19H22ClNO/c20-18-8-10-19(11-9-18)22-15-17-6-4-16(5-7-17)14-21-12-2-1-3-13-21/h4-11H,1-3,12-15H2
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124n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126911
PNG
(1-[4-(4-Trifluoromethyl-phenoxymethyl)-benzyl]-pip...)
Show SMILES FC(F)(F)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)18-8-10-19(11-9-18)25-15-17-6-4-16(5-7-17)14-24-12-2-1-3-13-24/h4-11H,1-3,12-15H2
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125n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126909
PNG
(1-(4-p-Tolyloxymethyl-benzyl)-piperidine; compound...)
Show SMILES Cc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C20H25NO/c1-17-5-11-20(12-6-17)22-16-19-9-7-18(8-10-19)15-21-13-3-2-4-14-21/h5-12H,2-4,13-16H2,1H3
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126n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126899
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CO\N=C(/C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C22H28N2O2/c1-18(23-25-2)21-10-12-22(13-11-21)26-17-20-8-6-19(7-9-20)16-24-14-4-3-5-15-24/h6-13H,3-5,14-17H2,1-2H3/b23-18+
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129n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126910
PNG
(1-[4-(3,4-Dimethyl-phenoxymethyl)-benzyl]-piperidi...)
Show SMILES Cc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1C
Show InChI InChI=1S/C21H27NO/c1-17-6-11-21(14-18(17)2)23-16-20-9-7-19(8-10-20)15-22-12-4-3-5-13-22/h6-11,14H,3-5,12-13,15-16H2,1-2H3
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149n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126875
PNG
(CHEMBL39951 | Cyclopentyl-[4-(4-piperidin-1-ylmeth...)
Show SMILES O=C(C1CCCC1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C25H31NO2/c27-25(22-6-2-3-7-22)23-12-14-24(15-13-23)28-19-21-10-8-20(9-11-21)18-26-16-4-1-5-17-26/h8-15,22H,1-7,16-19H2
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157n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126904
PNG
(1-[4-(4-Ethyl-phenoxymethyl)-benzyl]-piperidine; c...)
Show SMILES CCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H27NO/c1-2-18-10-12-21(13-11-18)23-17-20-8-6-19(7-9-20)16-22-14-4-3-5-15-22/h6-13H,2-5,14-17H2,1H3
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163n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126906
PNG
(1-[4-(3,4-Dichloro-phenoxymethyl)-benzyl]-piperidi...)
Show SMILES Clc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1Cl
Show InChI InChI=1S/C19H21Cl2NO/c20-18-9-8-17(12-19(18)21)23-14-16-6-4-15(5-7-16)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13-14H2
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167n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126907
PNG
(1-[4-(4-Butyl-phenoxymethyl)-benzyl]-piperidine; c...)
Show SMILES CCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C23H31NO/c1-2-3-7-20-12-14-23(15-13-20)25-19-22-10-8-21(9-11-22)18-24-16-5-4-6-17-24/h8-15H,2-7,16-19H2,1H3
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169n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126873
PNG
(1-[4-(4-Cyclopentyl-phenoxymethyl)-benzyl]-piperid...)
Show SMILES C(Oc1ccc(cc1)C1CCCC1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H31NO/c1-4-16-25(17-5-1)18-20-8-10-21(11-9-20)19-26-24-14-12-23(13-15-24)22-6-2-3-7-22/h8-15,22H,1-7,16-19H2
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201n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126889
PNG
(1-(4-Phenoxymethyl-benzyl)-piperidine; compound wi...)
Show SMILES C(Oc1ccccc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C19H23NO/c1-3-7-19(8-4-1)21-16-18-11-9-17(10-12-18)15-20-13-5-2-6-14-20/h1,3-4,7-12H,2,5-6,13-16H2
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227n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126876
PNG
(1-[4-(4-Benzyl-phenoxymethyl)-benzyl]-piperidine; ...)
Show SMILES C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C26H29NO/c1-3-7-22(8-4-1)19-23-13-15-26(16-14-23)28-21-25-11-9-24(10-12-25)20-27-17-5-2-6-18-27/h1,3-4,7-16H,2,5-6,17-21H2
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238n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126880
PNG
(1-[4-(4-Isopropyl-phenoxymethyl)-benzyl]-piperidin...)
Show SMILES CC(C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C22H29NO/c1-18(2)21-10-12-22(13-11-21)24-17-20-8-6-19(7-9-20)16-23-14-4-3-5-15-23/h6-13,18H,3-5,14-17H2,1-2H3
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253n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126908
PNG
(1-[4-(4-Propyl-phenoxymethyl)-benzyl]-piperidine; ...)
Show SMILES CCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C22H29NO/c1-2-6-19-11-13-22(14-12-19)24-18-21-9-7-20(8-10-21)17-23-15-4-3-5-16-23/h7-14H,2-6,15-18H2,1H3
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257n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126896
PNG
(1-(4-m-Tolyloxymethyl-benzyl)-piperidine; compound...)
Show SMILES Cc1cccc(OCc2ccc(CN3CCCCC3)cc2)c1
Show InChI InChI=1S/C20H25NO/c1-17-6-5-7-20(14-17)22-16-19-10-8-18(9-11-19)15-21-12-3-2-4-13-21/h5-11,14H,2-4,12-13,15-16H2,1H3
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334n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126894
PNG
(1-[4-(4-Phenoxy-phenoxymethyl)-benzyl]-piperidine;...)
Show SMILES C(Oc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H27NO2/c1-3-7-24(8-4-1)28-25-15-13-23(14-16-25)27-20-22-11-9-21(10-12-22)19-26-17-5-2-6-18-26/h1,3-4,7-16H,2,5-6,17-20H2
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530n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126897
PNG
(1-[4-(4-Benzyloxy-phenoxymethyl)-benzyl]-piperidin...)
Show SMILES C(Oc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-3-7-23(8-4-1)20-28-25-13-15-26(16-14-25)29-21-24-11-9-22(10-12-24)19-27-17-5-2-6-18-27/h1,3-4,7-16H,2,5-6,17-21H2
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550n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126874
PNG
(1-[4-(4-Styryl-phenoxymethyl)-benzyl]-piperidine; ...)
Show SMILES C(Oc1ccc(\C=C\c2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C27H29NO/c1-3-7-23(8-4-1)9-10-24-15-17-27(18-16-24)29-22-26-13-11-25(12-14-26)21-28-19-5-2-6-20-28/h1,3-4,7-18H,2,5-6,19-22H2/b10-9+
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761n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126877
PNG
(1-[4-(4-Phenethyl-phenoxymethyl)-benzyl]-piperidin...)
Show SMILES C(Cc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C27H31NO/c1-3-7-23(8-4-1)9-10-24-15-17-27(18-16-24)29-22-26-13-11-25(12-14-26)21-28-19-5-2-6-20-28/h1,3-4,7-8,11-18H,2,5-6,9-10,19-22H2
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890n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126892
PNG
(1-[4-(4-Pentyl-phenoxymethyl)-benzyl]-piperidine; ...)
Show SMILES CCCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C24H33NO/c1-2-3-5-8-21-13-15-24(16-14-21)26-20-23-11-9-22(10-12-23)19-25-17-6-4-7-18-25/h9-16H,2-8,17-20H2,1H3
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1.13E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine N-methyltransferase


(Rattus norvegicus)
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested against histamine N-methyl-transferase in rat brain [EC 2.1.1.8](relative weak affinity on rat enzyme)


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50126902
PNG
(1-[4-(4-Pyrrolidin-1-ylmethyl-benzyloxy)-phenyl]-e...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C20H23NO2/c1-16(22)19-8-10-20(11-9-19)23-15-18-6-4-17(5-7-18)14-21-12-2-3-13-21/h4-11H,2-3,12-15H2,1H3
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n/an/an/a 9.33E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H1 receptor subtype, was tested on guinea pig right ileum


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50126878
PNG
(1-[4-(4-Imidazol-1-yl-phenoxymethyl)-benzyl]-piper...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C22H25N3O/c1-2-13-24(14-3-1)16-19-4-6-20(7-5-19)17-26-22-10-8-21(9-11-22)25-15-12-23-18-25/h4-12,15,18H,1-3,13-14,16-17H2
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n/an/an/a 15.8n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50126895
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(N=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-17(22-24)20-9-11-21(12-10-20)25-16-19-7-5-18(6-8-19)15-23-13-3-2-4-14-23/h5-12,17H,2-4,13-16H2,1H3
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n/an/an/a 1.41E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H2 receptor subtype, was tested on guinea pig right atrium


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50126875
PNG
(CHEMBL39951 | Cyclopentyl-[4-(4-piperidin-1-ylmeth...)
Show SMILES O=C(C1CCCC1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C25H31NO2/c27-25(22-6-2-3-7-22)23-12-14-24(15-13-23)28-19-21-10-8-20(9-11-21)18-26-16-4-1-5-17-26/h8-15,22H,1-7,16-19H2
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n/an/an/a 30.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
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n/an/an/a 4.57E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H1 receptor subtype, was tested on guinea pig right ileum


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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n/an/an/a 38.0n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
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