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PubMed code 14698153

Compile data set for download or QSAR
Found 55 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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50136037
PNG
(1-(4-Butoxy-phenyl)-1H-imidazole | CHEMBL112532)
Show SMILES CCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H16N2O/c1-2-3-10-16-13-6-4-12(5-7-13)15-9-8-14-11-15/h4-9,11H,2-3,10H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50136037
PNG
(1-(4-Butoxy-phenyl)-1H-imidazole | CHEMBL112532)
Show SMILES CCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H16N2O/c1-2-3-10-16-13-6-4-12(5-7-13)15-9-8-14-11-15/h4-9,11H,2-3,10H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138233
PNG
(2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1
Show InChI InChI=1S/C17H17N3O/c1-2-10-19-15(4-1)5-3-13-21-17-8-6-16(7-9-17)20-12-11-18-14-20/h1-2,4,6-12,14H,3,5,13H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138237
PNG
(3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H17N3O/c1-3-15(13-18-9-1)4-2-12-21-17-7-5-16(6-8-17)20-11-10-19-14-20/h1,3,5-11,13-14H,2,4,12H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138236
PNG
(2-Hexyloxy-5-imidazol-1-yl-pyridine | CHEMBL320105)
Show SMILES CCCCCCOc1ccc(cn1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-5-10-18-14-7-6-13(11-16-14)17-9-8-15-12-17/h6-9,11-12H,2-5,10H2,1H3
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138236
PNG
(2-Hexyloxy-5-imidazol-1-yl-pyridine | CHEMBL320105)
Show SMILES CCCCCCOc1ccc(cn1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-5-10-18-14-7-6-13(11-16-14)17-9-8-15-12-17/h6-9,11-12H,2-5,10H2,1H3
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138233
PNG
(2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1
Show InChI InChI=1S/C17H17N3O/c1-2-10-19-15(4-1)5-3-13-21-17-8-6-16(7-9-17)20-12-11-18-14-20/h1-2,4,6-12,14H,3,5,13H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138232
PNG
(2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine | CHEMB...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1
Show InChI InChI=1S/C15H13N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h1-10,12H,11H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138237
PNG
(3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H17N3O/c1-3-15(13-18-9-1)4-2-12-21-17-7-5-16(6-8-17)20-11-10-19-14-20/h1,3,5-11,13-14H,2,4,12H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138238
PNG
(4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1
Show InChI InChI=1S/C17H17N3O/c1(2-15-7-9-18-10-8-15)13-21-17-5-3-16(4-6-17)20-12-11-19-14-20/h3-12,14H,1-2,13H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138238
PNG
(4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1
Show InChI InChI=1S/C17H17N3O/c1(2-15-7-9-18-10-8-15)13-21-17-5-3-16(4-6-17)20-12-11-19-14-20/h3-12,14H,1-2,13H2
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n/an/a<46n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138231
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine |...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C15H19N3O2/c1-3-15(4-2-14(1)18-6-5-16-13-18)20-12-9-17-7-10-19-11-8-17/h1-6,13H,7-12H2
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n/an/a 91n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50136037
PNG
(1-(4-Butoxy-phenyl)-1H-imidazole | CHEMBL112532)
Show SMILES CCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H16N2O/c1-2-3-10-16-13-6-4-12(5-7-13)15-9-8-14-11-15/h4-9,11H,2-3,10H2,1H3
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n/an/a 96n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138238
PNG
(4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1
Show InChI InChI=1S/C17H17N3O/c1(2-15-7-9-18-10-8-15)13-21-17-5-3-16(4-6-17)20-12-11-19-14-20/h3-12,14H,1-2,13H2
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n/an/a 101n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138232
PNG
(2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine | CHEMB...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1
Show InChI InChI=1S/C15H13N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h1-10,12H,11H2
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n/an/a 120n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138233
PNG
(2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1
Show InChI InChI=1S/C17H17N3O/c1-2-10-19-15(4-1)5-3-13-21-17-8-6-16(7-9-17)20-12-11-18-14-20/h1-2,4,6-12,14H,3,5,13H2
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n/an/a 129n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138232
PNG
(2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine | CHEMB...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1
Show InChI InChI=1S/C15H13N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h1-10,12H,11H2
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n/an/a 130n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138237
PNG
(3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H17N3O/c1-3-15(13-18-9-1)4-2-12-21-17-7-5-16(6-8-17)20-11-10-19-14-20/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 185n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138233
PNG
(2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1
Show InChI InChI=1S/C17H17N3O/c1-2-10-19-15(4-1)5-3-13-21-17-8-6-16(7-9-17)20-12-11-18-14-20/h1-2,4,6-12,14H,3,5,13H2
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n/an/a 252n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138238
PNG
(4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1
Show InChI InChI=1S/C17H17N3O/c1(2-15-7-9-18-10-8-15)13-21-17-5-3-16(4-6-17)20-12-11-19-14-20/h3-12,14H,1-2,13H2
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n/an/a 344n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50136037
PNG
(1-(4-Butoxy-phenyl)-1H-imidazole | CHEMBL112532)
Show SMILES CCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H16N2O/c1-2-3-10-16-13-6-4-12(5-7-13)15-9-8-14-11-15/h4-9,11H,2-3,10H2,1H3
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n/an/a 348n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138231
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine |...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C15H19N3O2/c1-3-15(4-2-14(1)18-6-5-16-13-18)20-12-9-17-7-10-19-11-8-17/h1-6,13H,7-12H2
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n/an/a 399n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138234
PNG
(CHEMBL114297 | [3-(4-Imidazol-1-yl-phenoxy)-propyl...)
Show SMILES CN(C)CCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-16(2)9-3-11-18-14-6-4-13(5-7-14)17-10-8-15-12-17/h4-8,10,12H,3,9,11H2,1-2H3
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138235
PNG
(CHEMBL113275 | [6-(4-Imidazol-1-yl-phenoxy)-hexyl]...)
Show SMILES CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
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n/an/a 410n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138237
PNG
(3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H17N3O/c1-3-15(13-18-9-1)4-2-12-21-17-7-5-16(6-8-17)20-11-10-19-14-20/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 417n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50136037
PNG
(1-(4-Butoxy-phenyl)-1H-imidazole | CHEMBL112532)
Show SMILES CCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H16N2O/c1-2-3-10-16-13-6-4-12(5-7-13)15-9-8-14-11-15/h4-9,11H,2-3,10H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138239
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
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n/an/a 469n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138233
PNG
(2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1
Show InChI InChI=1S/C17H17N3O/c1-2-10-19-15(4-1)5-3-13-21-17-8-6-16(7-9-17)20-12-11-18-14-20/h1-2,4,6-12,14H,3,5,13H2
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n/an/a 620n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138232
PNG
(2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine | CHEMB...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1
Show InChI InChI=1S/C15H13N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h1-10,12H,11H2
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n/an/a 630n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138235
PNG
(CHEMBL113275 | [6-(4-Imidazol-1-yl-phenoxy)-hexyl]...)
Show SMILES CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138236
PNG
(2-Hexyloxy-5-imidazol-1-yl-pyridine | CHEMBL320105)
Show SMILES CCCCCCOc1ccc(cn1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-5-10-18-14-7-6-13(11-16-14)17-9-8-15-12-17/h6-9,11-12H,2-5,10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138232
PNG
(2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine | CHEMB...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1
Show InChI InChI=1S/C15H13N3O/c1-2-8-17-13(3-1)11-19-15-6-4-14(5-7-15)18-10-9-16-12-18/h1-10,12H,11H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138238
PNG
(4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1
Show InChI InChI=1S/C17H17N3O/c1(2-15-7-9-18-10-8-15)13-21-17-5-3-16(4-6-17)20-12-11-19-14-20/h3-12,14H,1-2,13H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138240
PNG
(CHEMBL325429 | [2-(4-Imidazol-1-yl-phenoxy)-ethyl]...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H17N3O/c1-15(2)9-10-17-13-5-3-12(4-6-13)16-8-7-14-11-16/h3-8,11H,9-10H2,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138237
PNG
(3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine | ...)
Show SMILES C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H17N3O/c1-3-15(13-18-9-1)4-2-12-21-17-7-5-16(6-8-17)20-11-10-19-14-20/h1,3,5-11,13-14H,2,4,12H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138239
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138231
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine |...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C15H19N3O2/c1-3-15(4-2-14(1)18-6-5-16-13-18)20-12-9-17-7-10-19-11-8-17/h1-6,13H,7-12H2
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n/an/a 1.48E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138231
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine |...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C15H19N3O2/c1-3-15(4-2-14(1)18-6-5-16-13-18)20-12-9-17-7-10-19-11-8-17/h1-6,13H,7-12H2
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n/an/a 1.81E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138239
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
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n/an/a 2.24E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138240
PNG
(CHEMBL325429 | [2-(4-Imidazol-1-yl-phenoxy)-ethyl]...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H17N3O/c1-15(2)9-10-17-13-5-3-12(4-6-13)16-8-7-14-11-16/h3-8,11H,9-10H2,1-2H3
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n/an/a 2.96E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50138239
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2D6


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138234
PNG
(CHEMBL114297 | [3-(4-Imidazol-1-yl-phenoxy)-propyl...)
Show SMILES CN(C)CCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-16(2)9-3-11-18-14-6-4-13(5-7-14)17-10-8-15-12-17/h4-8,10,12H,3,9,11H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138235
PNG
(CHEMBL113275 | [6-(4-Imidazol-1-yl-phenoxy)-hexyl]...)
Show SMILES CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
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n/an/a 4.46E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138231
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine |...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C15H19N3O2/c1-3-15(4-2-14(1)18-6-5-16-13-18)20-12-9-17-7-10-19-11-8-17/h1-6,13H,7-12H2
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n/an/a 5.67E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138235
PNG
(CHEMBL113275 | [6-(4-Imidazol-1-yl-phenoxy)-hexyl]...)
Show SMILES CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
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n/an/a 6.22E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50138234
PNG
(CHEMBL114297 | [3-(4-Imidazol-1-yl-phenoxy)-propyl...)
Show SMILES CN(C)CCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-16(2)9-3-11-18-14-6-4-13(5-7-14)17-10-8-15-12-17/h4-8,10,12H,3,9,11H2,1-2H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C19


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50138240
PNG
(CHEMBL325429 | [2-(4-Imidazol-1-yl-phenoxy)-ethyl]...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H17N3O/c1-15(2)9-10-17-13-5-3-12(4-6-13)16-8-7-14-11-16/h3-8,11H,9-10H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 1A2


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138234
PNG
(CHEMBL114297 | [3-(4-Imidazol-1-yl-phenoxy)-propyl...)
Show SMILES CN(C)CCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-16(2)9-3-11-18-14-6-4-13(5-7-14)17-10-8-15-12-17/h4-8,10,12H,3,9,11H2,1-2H3
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n/an/a 3.28E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138235
PNG
(CHEMBL113275 | [6-(4-Imidazol-1-yl-phenoxy)-hexyl]...)
Show SMILES CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H25N3O/c1-19(2)12-5-3-4-6-14-21-17-9-7-16(8-10-17)20-13-11-18-15-20/h7-11,13,15H,3-6,12,14H2,1-2H3
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n/an/a 3.32E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138234
PNG
(CHEMBL114297 | [3-(4-Imidazol-1-yl-phenoxy)-propyl...)
Show SMILES CN(C)CCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-16(2)9-3-11-18-14-6-4-13(5-7-14)17-10-8-15-12-17/h4-8,10,12H,3,9,11H2,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138240
PNG
(CHEMBL325429 | [2-(4-Imidazol-1-yl-phenoxy)-ethyl]...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H17N3O/c1-15(2)9-10-17-13-5-3-12(4-6-13)16-8-7-14-11-16/h3-8,11H,9-10H2,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138236
PNG
(2-Hexyloxy-5-imidazol-1-yl-pyridine | CHEMBL320105)
Show SMILES CCCCCCOc1ccc(cn1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-5-10-18-14-7-6-13(11-16-14)17-9-8-15-12-17/h6-9,11-12H,2-5,10H2,1H3
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n/an/a 7.69E+4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138240
PNG
(CHEMBL325429 | [2-(4-Imidazol-1-yl-phenoxy)-ethyl]...)
Show SMILES CN(C)CCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C13H17N3O/c1-15(2)9-10-17-13-5-3-12(4-6-13)16-8-7-14-11-16/h3-8,11H,9-10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50138236
PNG
(2-Hexyloxy-5-imidazol-1-yl-pyridine | CHEMBL320105)
Show SMILES CCCCCCOc1ccc(cn1)-n1ccnc1
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-5-10-18-14-7-6-13(11-16-14)17-9-8-15-12-17/h6-9,11-12H,2-5,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 2C9


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50138239
PNG
(4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1
Show InChI InChI=1S/C18H24N4O3/c1-2-24-18(23)21-11-9-20(10-12-21)13-14-25-17-5-3-16(4-6-17)22-8-7-19-15-22/h3-8,15H,2,9-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 3A4


Bioorg Med Chem Lett 14: 333-6 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W74
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%