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PubMed code 16297617

Compile data set for download or QSAR
Found 87 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
HRH3


(GUINEA PIG)
BDBM50177543
PNG
(1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1cccc(CN2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-10-28(11-3-1)19-22-6-4-7-24(17-22)29-15-5-12-27-13-8-21(9-14-27)16-23-18-25-20-26-23/h4,6-7,17-18,20-21H,1-3,5,8-16,19H2,(H,25,26)
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1n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177531
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CCN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C25H38N4O/c1-2-12-28(13-3-1)15-9-22-5-7-25(8-6-22)30-18-4-14-29-16-10-23(11-17-29)19-24-20-26-21-27-24/h5-8,20-21,23H,1-4,9-19H2,(H,26,27)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177536
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177538
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCC(CC2)N2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C29H45N5O/c1-2-14-34(15-3-1)28-11-18-33(19-12-28)23-26-5-7-29(8-6-26)35-20-4-13-32-16-9-25(10-17-32)21-27-22-30-24-31-27/h5-8,22,24-25,28H,1-4,9-21,23H2,(H,30,31)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177530
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(3-(cyclohexylox...)
Show SMILES C(COc1cccc(OC2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H35N3O2/c1-2-6-22(7-3-1)29-24-9-4-8-23(17-24)28-15-5-12-27-13-10-20(11-14-27)16-21-18-25-19-26-21/h4,8-9,17-20,22H,1-3,5-7,10-16H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50175839
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)pi...)
Show SMILES C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H25N3O/c1-2-5-18(6-3-1)22-12-4-9-21-10-7-16(8-11-21)13-17-14-19-15-20-17/h1-3,5-6,14-16H,4,7-13H2,(H,19,20)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177542
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES FC1(F)CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C24H34F2N4O/c25-24(26)8-13-30(14-9-24)18-21-2-4-23(5-3-21)31-15-1-10-29-11-6-20(7-12-29)16-22-17-27-19-28-22/h2-5,17,19-20H,1,6-16,18H2,(H,27,28)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177535
PNG
(CHEMBL379445 | N-(4-(3-(4-((1H-imidazol-4-yl)methy...)
Show SMILES CCN(CC)Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-3-26(4-2)18-21-6-8-23(9-7-21)28-15-5-12-27-13-10-20(11-14-27)16-22-17-24-19-25-22/h6-9,17,19-20H,3-5,10-16,18H2,1-2H3,(H,24,25)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177551
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(thiazol-2-yl)piper...)
Show SMILES O=C(Nc1nccs1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C13H17N5OS/c19-13(17-12-15-3-6-20-12)18-4-1-10(2-5-18)7-11-8-14-9-16-11/h3,6,8-10H,1-2,4-5,7H2,(H,14,16)(H,15,17,19)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177544
PNG
(1-(4-(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CN1CCC(Cc2cnc[nH]2)CC1)Oc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H34N4O/c1-2-10-27(11-3-1)18-21-4-6-23(7-5-21)28-15-14-26-12-8-20(9-13-26)16-22-17-24-19-25-22/h4-7,17,19-20H,1-3,8-16,18H2,(H,24,25)
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5n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177532
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(4-(cyclohexylox...)
Show SMILES C(COc1ccc(OC2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H35N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-16-4-13-27-14-11-20(12-15-27)17-21-18-25-19-26-21/h7-10,18-20,23H,1-6,11-17H2,(H,25,26)
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6n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177546
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(pyrimidin-2-yl)pip...)
Show SMILES O=C(Nc1ncccn1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C14H18N6O/c21-14(19-13-16-4-1-5-17-13)20-6-2-11(3-7-20)8-12-9-15-10-18-12/h1,4-5,9-11H,2-3,6-8H2,(H,15,18)(H,16,17,19,21)
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8n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177556
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cncnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1(8-27-9-6-18(7-10-27)12-21-15-25-17-26-21)11-28-22-4-2-19(3-5-22)20-13-23-16-24-14-20/h2-5,13-18H,1,6-12H2,(H,25,26)
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9n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177541
PNG
(5-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(CN2CCCCC2)nc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H35N5O/c1-2-9-28(10-3-1)18-21-5-6-23(17-25-21)29-14-4-11-27-12-7-20(8-13-27)15-22-16-24-19-26-22/h5-6,16-17,19-20H,1-4,7-15,18H2,(H,24,26)
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10n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177550
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES Nc1ncc(cn1)-c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C22H28N6O/c23-22-25-13-19(14-26-22)18-2-4-21(5-3-18)29-11-1-8-28-9-6-17(7-10-28)12-20-15-24-16-27-20/h2-5,13-17H,1,6-12H2,(H,24,27)(H2,23,25,26)
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12n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177528
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)N1CCNCC1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H33N5O/c1(10-26-11-6-19(7-12-26)16-20-17-24-18-25-20)15-28-22-4-2-21(3-5-22)27-13-8-23-9-14-27/h2-5,17-19,23H,1,6-16H2,(H,24,25)
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12n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177548
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cccnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H28N4O/c1-3-21(16-24-10-1)20-4-6-23(7-5-20)28-14-2-11-27-12-8-19(9-13-27)15-22-17-25-18-26-22/h1,3-7,10,16-19H,2,8-9,11-15H2,(H,25,26)
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12n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177529
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES CN(C)CCCOc1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-26(2)12-4-16-28-23-8-6-20(7-9-23)5-3-13-27-14-10-21(11-15-27)17-22-18-24-19-25-22/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,24,25)
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13n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177555
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)N1CCCCC1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H34N4O/c1-2-12-27(13-3-1)22-5-7-23(8-6-22)28-16-4-11-26-14-9-20(10-15-26)17-21-18-24-19-25-21/h5-8,18-20H,1-4,9-17H2,(H,24,25)
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15n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177527
PNG
(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(NC2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-5-21(6-3-1)27-22-7-9-24(10-8-22)29-16-4-13-28-14-11-20(12-15-28)17-23-18-25-19-26-23/h7-10,18-21,27H,1-6,11-17H2,(H,25,26)
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15n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177549
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES NC(=O)C1CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C25H37N5O2/c26-25(31)22-8-13-30(14-9-22)18-21-2-4-24(5-3-21)32-15-1-10-29-11-6-20(7-12-29)16-23-17-27-19-28-23/h2-5,17,19-20,22H,1,6-16,18H2,(H2,26,31)(H,27,28)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177534
PNG
(1-(4-(4-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CCN1CCC(Cc2cnc[nH]2)CC1)COc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H38N4O/c1-2-13-29(14-3-1)20-23-6-8-25(9-7-23)30-17-5-4-12-28-15-10-22(11-16-28)18-24-19-26-21-27-24/h6-9,19,21-22H,1-5,10-18,20H2,(H,26,27)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
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17n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177526
PNG
((4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCNCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H33N5O2/c29-23(28-13-8-24-9-14-28)20-2-4-22(5-3-20)30-15-1-10-27-11-6-19(7-12-27)16-21-17-25-18-26-21/h2-5,17-19,24H,1,6-16H2,(H,25,26)
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23n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177533
PNG
((6-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCCCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)nc1
Show InChI InChI=1S/C23H33N5O2/c29-23(28-10-2-1-3-11-28)20-5-6-22(25-16-20)30-14-4-9-27-12-7-19(8-13-27)15-21-17-24-18-26-21/h5-6,16-19H,1-4,7-15H2,(H,24,26)
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24n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177545
PNG
((4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCCCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C24H34N4O2/c29-24(28-12-2-1-3-13-28)21-5-7-23(8-6-21)30-16-4-11-27-14-9-20(10-15-27)17-22-18-25-19-26-22/h5-8,18-20H,1-4,9-17H2,(H,25,26)
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26n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
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33n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177539
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES O=C1CCCCN1Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C24H34N4O2/c29-24-4-1-2-12-28(24)18-21-5-7-23(8-6-21)30-15-3-11-27-13-9-20(10-14-27)16-22-17-25-19-26-22/h5-8,17,19-20H,1-4,9-16,18H2,(H,25,26)
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34n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177540
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H35N5O/c30-24(10-15-28-13-8-20(9-14-28)16-23-17-25-19-26-23)27-22-6-4-21(5-7-22)18-29-11-2-1-3-12-29/h4-7,17,19-20H,1-3,8-16,18H2,(H,25,26)(H,27,30)
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40n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177554
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-(...)
Show SMILES O=C(CCc1ccc(CN2CCCCC2)cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H34N4O/c29-24(28-14-10-21(11-15-28)16-23-17-25-19-26-23)9-8-20-4-6-22(7-5-20)18-27-12-2-1-3-13-27/h4-7,17,19,21H,1-3,8-16,18H2,(H,25,26)
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45n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177524
PNG
(2-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1ncccn1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1-9-24-22(25-10-1)19-3-5-21(6-4-19)28-14-2-11-27-12-7-18(8-13-27)15-20-16-23-17-26-20/h1,3-6,9-10,16-18H,2,7-8,11-15H2,(H,23,26)
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45n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177553
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-(...)
Show SMILES O=C(CCOc1ccc(cc1)C(=O)N1CCNCC1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H31N5O3/c29-22(27-10-5-18(6-11-27)15-20-16-25-17-26-20)7-14-31-21-3-1-19(2-4-21)23(30)28-12-8-24-9-13-28/h1-4,16-18,24H,5-15H2,(H,25,26)
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51n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177537
PNG
(6-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc2ncccc2c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C21H26N4O/c1-3-18-14-20(4-5-21(18)23-8-1)26-12-2-9-25-10-6-17(7-11-25)13-19-15-22-16-24-19/h1,3-5,8,14-17H,2,6-7,9-13H2,(H,22,24)
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52n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177525
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-(...)
Show SMILES O=C(CCOc1ccc(CN2CCCCC2)cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c29-24(28-13-8-20(9-14-28)16-22-17-25-19-26-22)10-15-30-23-6-4-21(5-7-23)18-27-11-2-1-3-12-27/h4-7,17,19-20H,1-3,8-16,18H2,(H,25,26)
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315n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50175839
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)pi...)
Show SMILES C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H25N3O/c1-2-5-18(6-3-1)22-12-4-9-21-10-7-16(8-11-21)13-17-14-19-15-20-17/h1-3,5-6,14-16H,4,7-13H2,(H,19,20)
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n/an/a 30n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177532
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(4-(cyclohexylox...)
Show SMILES C(COc1ccc(OC2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H35N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-16-4-13-27-14-11-20(12-15-27)17-21-18-25-19-26-21/h7-10,18-20,23H,1-6,11-17H2,(H,25,26)
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n/an/a 300n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177548
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cccnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H28N4O/c1-3-21(16-24-10-1)20-4-6-23(7-5-20)28-14-2-11-27-12-8-19(9-13-27)15-22-17-25-18-26-22/h1,3-7,10,16-19H,2,8-9,11-15H2,(H,25,26)
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n/an/a 300n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177527
PNG
(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(NC2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-5-21(6-3-1)27-22-7-9-24(10-8-22)29-16-4-13-28-14-11-20(12-15-28)17-23-18-25-19-26-23/h7-10,18-21,27H,1-6,11-17H2,(H,25,26)
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n/an/a 900n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177555
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)N1CCCCC1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H34N4O/c1-2-12-27(13-3-1)22-5-7-23(8-6-22)28-16-4-11-26-14-9-20(10-15-26)17-21-18-24-19-25-21/h5-8,18-20H,1-4,9-17H2,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177525
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-(...)
Show SMILES O=C(CCOc1ccc(CN2CCCCC2)cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H34N4O2/c29-24(28-13-8-20(9-14-28)16-22-17-25-19-26-22)10-15-30-23-6-4-21(5-7-23)18-27-11-2-1-3-12-27/h4-7,17,19-20H,1-3,8-16,18H2,(H,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177531
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CCN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C25H38N4O/c1-2-12-28(13-3-1)15-9-22-5-7-25(8-6-22)30-18-4-14-29-16-10-23(11-17-29)19-24-20-26-21-27-24/h5-8,20-21,23H,1-4,9-19H2,(H,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by supersome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177533
PNG
((6-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCCCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)nc1
Show InChI InChI=1S/C23H33N5O2/c29-23(28-10-2-1-3-11-28)20-5-6-22(25-16-20)30-14-4-9-27-12-7-19(8-13-27)15-21-17-24-18-26-21/h5-6,16-19H,1-4,7-15H2,(H,24,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177537
PNG
(6-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc2ncccc2c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C21H26N4O/c1-3-18-14-20(4-5-21(18)23-8-1)26-12-2-9-25-10-6-17(7-11-25)13-19-15-22-16-24-19/h1,3-5,8,14-17H,2,6-7,9-13H2,(H,22,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177551
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(thiazol-2-yl)piper...)
Show SMILES O=C(Nc1nccs1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C13H17N5OS/c19-13(17-12-15-3-6-20-12)18-4-1-10(2-5-18)7-11-8-14-9-16-11/h3,6,8-10H,1-2,4-5,7H2,(H,14,16)(H,15,17,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177530
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(3-(cyclohexylox...)
Show SMILES C(COc1cccc(OC2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H35N3O2/c1-2-6-22(7-3-1)29-24-9-4-8-23(17-24)28-15-5-12-27-13-10-20(11-14-27)16-21-18-25-19-26-21/h4,8-9,17-20,22H,1-3,5-7,10-16H2,(H,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177545
PNG
((4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCCCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C24H34N4O2/c29-24(28-12-2-1-3-13-28)21-5-7-23(8-6-21)30-16-4-11-27-14-9-20(10-15-27)17-22-18-25-19-26-22/h5-8,18-20H,1-4,9-17H2,(H,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by supersome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177541
PNG
(5-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(CN2CCCCC2)nc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H35N5O/c1-2-9-28(10-3-1)18-21-5-6-23(17-25-21)29-14-4-11-27-12-7-20(8-13-27)15-22-16-24-19-26-22/h5-6,16-17,19-20H,1-4,7-15,18H2,(H,24,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177544
PNG
(1-(4-(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CN1CCC(Cc2cnc[nH]2)CC1)Oc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H34N4O/c1-2-10-27(11-3-1)18-21-4-6-23(7-5-21)28-15-14-26-12-8-20(9-13-26)16-22-17-24-19-25-22/h4-7,17,19-20H,1-3,8-16,18H2,(H,24,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177554
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-(...)
Show SMILES O=C(CCc1ccc(CN2CCCCC2)cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H34N4O/c29-24(28-14-10-21(11-15-28)16-23-17-25-19-26-23)9-8-20-4-6-22(7-5-20)18-27-12-2-1-3-13-27/h4-7,17,19,21H,1-3,8-16,18H2,(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177543
PNG
(1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1cccc(CN2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-10-28(11-3-1)19-22-6-4-7-24(17-22)29-15-5-12-27-13-8-21(9-14-27)16-23-18-25-20-26-23/h4,6-7,17-18,20-21H,1-3,5,8-16,19H2,(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177556
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cncnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1(8-27-9-6-18(7-10-27)12-21-15-25-17-26-21)11-28-22-4-2-19(3-5-22)20-13-23-16-24-14-20/h2-5,13-18H,1,6-12H2,(H,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177539
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES O=C1CCCCN1Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C24H34N4O2/c29-24-4-1-2-12-28(24)18-21-5-7-23(8-6-21)30-15-3-11-27-13-9-20(10-14-27)16-22-17-25-19-26-22/h5-8,17,19-20H,1-4,9-16,18H2,(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by supersome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177524
PNG
(2-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1ncccn1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1-9-24-22(25-10-1)19-3-5-21(6-4-19)28-14-2-11-27-12-7-18(8-13-27)15-20-16-23-17-26-20/h1,3-6,9-10,16-18H,2,7-8,11-15H2,(H,23,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177542
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES FC1(F)CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C24H34F2N4O/c25-24(26)8-13-30(14-9-24)18-21-2-4-23(5-3-21)31-15-1-10-29-11-6-20(7-12-29)16-22-17-27-19-28-22/h2-5,17,19-20H,1,6-16,18H2,(H,27,28)
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177546
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(pyrimidin-2-yl)pip...)
Show SMILES O=C(Nc1ncccn1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C14H18N6O/c21-14(19-13-16-4-1-5-17-13)20-6-2-11(3-7-20)8-12-9-15-10-18-12/h1,4-5,9-11H,2-3,6-8H2,(H,15,18)(H,16,17,19,21)
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177535
PNG
(CHEMBL379445 | N-(4-(3-(4-((1H-imidazol-4-yl)methy...)
Show SMILES CCN(CC)Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-3-26(4-2)18-21-6-8-23(9-7-21)28-15-5-12-27-13-10-20(11-14-27)16-22-17-24-19-25-22/h6-9,17,19-20H,3-5,10-16,18H2,1-2H3,(H,24,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177540
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H35N5O/c30-24(10-15-28-13-8-20(9-14-28)16-23-17-25-19-26-23)27-22-6-4-21(5-7-22)18-29-11-2-1-3-12-29/h4-7,17,19-20H,1-3,8-16,18H2,(H,25,26)(H,27,30)
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n/an/a 9.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177550
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES Nc1ncc(cn1)-c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C22H28N6O/c23-22-25-13-19(14-26-22)18-2-4-21(5-3-18)29-11-1-8-28-9-6-17(7-10-28)12-20-15-24-16-27-20/h2-5,13-17H,1,6-12H2,(H,24,27)(H2,23,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177536
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177534
PNG
(1-(4-(4-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CCN1CCC(Cc2cnc[nH]2)CC1)COc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H38N4O/c1-2-13-29(14-3-1)20-23-6-8-25(9-7-23)30-17-5-4-12-28-15-10-22(11-16-28)18-24-19-26-21-27-24/h6-9,19,21-22H,1-5,10-18,20H2,(H,26,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177526
PNG
((4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCNCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H33N5O2/c29-23(28-13-8-24-9-14-28)20-2-4-22(5-3-20)30-15-1-10-27-11-6-19(7-12-27)16-21-17-25-18-26-21/h2-5,17-19,24H,1,6-16H2,(H,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50175839
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)pi...)
Show SMILES C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H25N3O/c1-2-5-18(6-3-1)22-12-4-9-21-10-7-16(8-11-21)13-17-14-19-15-20-17/h1-3,5-6,14-16H,4,7-13H2,(H,19,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177528
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)N1CCNCC1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H33N5O/c1(10-26-11-6-19(7-12-26)16-20-17-24-18-25-20)15-28-22-4-2-21(3-5-22)27-13-8-23-9-14-27/h2-5,17-19,23H,1,6-16H2,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177549
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES NC(=O)C1CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C25H37N5O2/c26-25(31)22-8-13-30(14-9-22)18-21-2-4-24(5-3-21)32-15-1-10-29-11-6-20(7-12-29)16-23-17-27-19-28-23/h2-5,17,19-20,22H,1,6-16,18H2,(H2,26,31)(H,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by supersome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177553
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-(...)
Show SMILES O=C(CCOc1ccc(cc1)C(=O)N1CCNCC1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H31N5O3/c29-22(27-10-5-18(6-11-27)15-20-16-25-17-26-20)7-14-31-21-3-1-19(2-4-21)23(30)28-12-8-24-9-13-28/h1-4,16-18,24H,5-15H2,(H,25,26)
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n/an/a 3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP3A4


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177529
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES CN(C)CCCOc1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-26(2)12-4-16-28-23-8-6-20(7-9-23)5-3-13-27-14-10-21(11-15-27)17-22-18-24-19-25-22/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177538
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCC(CC2)N2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C29H45N5O/c1-2-14-34(15-3-1)28-11-18-33(19-12-28)23-26-5-7-29(8-6-26)35-20-4-13-32-16-9-25(10-17-32)21-27-22-30-24-31-27/h5-8,22,24-25,28H,1-4,9-21,23H2,(H,30,31)
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n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177550
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES Nc1ncc(cn1)-c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C22H28N6O/c23-22-25-13-19(14-26-22)18-2-4-21(5-3-18)29-11-1-8-28-9-6-17(7-10-28)12-20-15-24-16-27-20/h2-5,13-17H,1,6-12H2,(H,24,27)(H2,23,25,26)
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n/an/an/a 19.9n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
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n/an/an/a 79.4n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
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n/an/an/a 31.6n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177551
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(thiazol-2-yl)piper...)
Show SMILES O=C(Nc1nccs1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C13H17N5OS/c19-13(17-12-15-3-6-20-12)18-4-1-10(2-5-18)7-11-8-14-9-16-11/h3,6,8-10H,1-2,4-5,7H2,(H,14,16)(H,15,17,19)
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n/an/an/a 25.1n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177529
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES CN(C)CCCOc1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-26(2)12-4-16-28-23-8-6-20(7-9-23)5-3-13-27-14-10-21(11-15-27)17-22-18-24-19-25-22/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,24,25)
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n/an/an/a 50.1n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177535
PNG
(CHEMBL379445 | N-(4-(3-(4-((1H-imidazol-4-yl)methy...)
Show SMILES CCN(CC)Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-3-26(4-2)18-21-6-8-23(9-7-21)28-15-5-12-27-13-10-20(11-14-27)16-22-17-24-19-25-22/h6-9,17,19-20H,3-5,10-16,18H2,1-2H3,(H,24,25)
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n/an/an/a 1.58n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177533
PNG
((6-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCCCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)nc1
Show InChI InChI=1S/C23H33N5O2/c29-23(28-10-2-1-3-11-28)20-5-6-22(25-16-20)30-14-4-9-27-12-7-19(8-13-27)15-21-17-24-18-26-21/h5-6,16-19H,1-4,7-15H2,(H,24,26)
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n/an/an/a 19.9n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177543
PNG
(1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1cccc(CN2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-10-28(11-3-1)19-22-6-4-7-24(17-22)29-15-5-12-27-13-8-21(9-14-27)16-23-18-25-20-26-23/h4,6-7,17-18,20-21H,1-3,5,8-16,19H2,(H,25,26)
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n/an/an/a 3.98n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50175839
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)pi...)
Show SMILES C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H25N3O/c1-2-5-18(6-3-1)22-12-4-9-21-10-7-16(8-11-21)13-17-14-19-15-20-17/h1-3,5-6,14-16H,4,7-13H2,(H,19,20)
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n/an/an/a 5.01n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177526
PNG
((4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCNCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H33N5O2/c29-23(28-13-8-24-9-14-28)20-2-4-22(5-3-20)30-15-1-10-27-11-6-19(7-12-27)16-21-17-25-18-26-21/h2-5,17-19,24H,1,6-16H2,(H,25,26)
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n/an/an/a 15.8n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177536
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)
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n/an/an/a 2.51n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177531
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CCN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C25H38N4O/c1-2-12-28(13-3-1)15-9-22-5-7-25(8-6-22)30-18-4-14-29-16-10-23(11-17-29)19-24-20-26-21-27-24/h5-8,20-21,23H,1-4,9-19H2,(H,26,27)
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n/an/an/a 3.16n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177549
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES NC(=O)C1CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C25H37N5O2/c26-25(31)22-8-13-30(14-9-22)18-21-2-4-24(5-3-21)32-15-1-10-29-11-6-20(7-12-29)16-23-17-27-19-28-23/h2-5,17,19-20,22H,1,6-16,18H2,(H2,26,31)(H,27,28)
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n/an/an/a 25.1n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177541
PNG
(5-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(CN2CCCCC2)nc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H35N5O/c1-2-9-28(10-3-1)18-21-5-6-23(17-25-21)29-14-4-11-27-12-7-20(8-13-27)15-22-16-24-19-26-22/h5-6,16-17,19-20H,1-4,7-15,18H2,(H,24,26)
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n/an/an/a 7.94n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177534
PNG
(1-(4-(4-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CCN1CCC(Cc2cnc[nH]2)CC1)COc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H38N4O/c1-2-13-29(14-3-1)20-23-6-8-25(9-7-23)30-17-5-4-12-28-15-10-22(11-16-28)18-24-19-26-21-27-24/h6-9,19,21-22H,1-5,10-18,20H2,(H,26,27)
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n/an/an/a 15.8n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177546
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(pyrimidin-2-yl)pip...)
Show SMILES O=C(Nc1ncccn1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C14H18N6O/c21-14(19-13-16-4-1-5-17-13)20-6-2-11(3-7-20)8-12-9-15-10-18-12/h1,4-5,9-11H,2-3,6-8H2,(H,15,18)(H,16,17,19,21)
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n/an/an/a 25.1n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177545
PNG
((4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES O=C(N1CCCCC1)c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C24H34N4O2/c29-24(28-12-2-1-3-13-28)21-5-7-23(8-6-21)30-16-4-11-27-14-9-20(10-15-27)17-22-18-25-19-26-22/h5-8,18-20H,1-4,9-17H2,(H,25,26)
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n/an/an/a 19.9n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%