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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50010740   
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


(Rattus norvegicus (rat))
BDBM50098203
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2OS/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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0.110n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50098203
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2OS/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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1.10n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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1.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50071197
PNG
(4-(4-Phenyl-butyl)-1H-imidazole | CHEMBL296450)
Show SMILES C(CCc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)
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2.10n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
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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2.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22915
PNG
(3-(1H-imidazol-4-yl)propylphenylmethyl ether | 5-[...)
Show SMILES C(COCc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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2.70n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22915
PNG
(3-(1H-imidazol-4-yl)propylphenylmethyl ether | 5-[...)
Show SMILES C(COCc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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2.90n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50053292
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethoxy]-phenyl}-ethanon...)
Show SMILES CC(=O)c1ccc(OCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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3.60n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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3.90n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50092833
PNG
(4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxal...)
Show SMILES C(COc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-8-4-5-11-9-13-10-14-11/h1-3,6-7,9-10H,4-5,8H2,(H,13,14)
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4.90n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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6.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Histamine H3 receptor in CHO-K1 cells using [125I]-iodoproxyfan as radioligand


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50092844
PNG
(4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole; com...)
Show SMILES COc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
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7.90n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50071197
PNG
(4-(4-Phenyl-butyl)-1H-imidazole | CHEMBL296450)
Show SMILES C(CCc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)
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12n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50098205
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propylsulfanyl]-phenyl}...)
Show SMILES CC(=O)c1ccc(SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2OS/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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18n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50098207
PNG
(1-{4-[4-(1H-Imidazol-4-yl)-butoxy]-phenyl}-ethanon...)
Show SMILES CC(=O)c1ccc(OCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18N2O2/c1-12(18)13-5-7-15(8-6-13)19-9-3-2-4-14-10-16-11-17-14/h5-8,10-11H,2-4,9H2,1H3,(H,16,17)
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19n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50092833
PNG
(4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxal...)
Show SMILES C(COc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C12H14N2O/c1-2-6-12(7-3-1)15-8-4-5-11-9-13-10-14-11/h1-3,6-7,9-10H,4-5,8H2,(H,13,14)
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27n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091386
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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29n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50098207
PNG
(1-{4-[4-(1H-Imidazol-4-yl)-butoxy]-phenyl}-ethanon...)
Show SMILES CC(=O)c1ccc(OCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18N2O2/c1-12(18)13-5-7-15(8-6-13)19-9-3-2-4-14-10-16-11-17-14/h5-8,10-11H,2-4,9H2,1H3,(H,16,17)
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36n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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41n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50053292
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethoxy]-phenyl}-ethanon...)
Show SMILES CC(=O)c1ccc(OCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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42n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50098205
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propylsulfanyl]-phenyl}...)
Show SMILES CC(=O)c1ccc(SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2OS/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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44n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
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 Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50092844
PNG
(4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole; com...)
Show SMILES COc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
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47n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
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 Universität Berlin

Curated by ChEMBL


Assay Description
Binding affinity of the compound to human Histamine H3 receptor in CHO-K1 cells using [125I]-iodoproxyfan as radioligand


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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71n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50091386
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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87n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair