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PubMed code 20690643

Compile data set for download or QSAR
Found 68 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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.300n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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0.430n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22910
PNG
(4-(1H-imidazol-5-ylmethyl)pyridine | Immethridine)
Show SMILES C(c1cnc[nH]1)c1ccncc1
Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
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0.770n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326285
PNG
((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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16n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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17n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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18n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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48n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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64n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326293
PNG
(2-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)
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75n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326297
PNG
(3-((1H-imidazol-4-yl)methyl)pyridine | 3-(3H-Imida...)
Show SMILES C(c1cnc[nH]1)c1cccnc1
Show InChI InChI=1S/C9H9N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h1-3,5-7H,4H2,(H,11,12)
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76n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326294
PNG
(3-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-3-5-14(6-4-13)24-10-15(16-9-22-11-23-16)12-2-1-7-21-8-12/h1-9,11,15H,10H2,(H,22,23)
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120n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326295
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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130n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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180n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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200n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326285
PNG
((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1
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280n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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310n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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360n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326292
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)
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530n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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540n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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840n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326290
PNG
(2-(1H-Imidazol-4-yl)-N-methyl-3-(4-(trifluoromethy...)
Show SMILES CNCC(CSc1ccc(cc1)C(F)(F)F)c1cnc[nH]1
Show InChI InChI=1S/C14H16F3N3S/c1-18-6-10(13-7-19-9-20-13)8-21-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326291
PNG
(3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-...)
Show SMILES CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1
Show InChI InChI=1S/C17H25N3S/c1-17(2,3)14-5-7-15(8-6-14)21-11-13(9-18-4)16-10-19-12-20-16/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326285
PNG
((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326296
PNG
(2-((1H-imidazol-4-yl)methyl)pyridine | 2-(3H-Imida...)
Show SMILES C(c1cnc[nH]1)c1ccccn1
Show InChI InChI=1S/C9H9N3/c1-2-4-11-8(3-1)5-9-6-10-7-12-9/h1-4,6-7H,5H2,(H,10,12)
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1.80E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50326285
PNG
((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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n/an/a 8.5n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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n/an/a 55n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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n/an/a 270n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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n/an/a 350n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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n/an/a 470n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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n/an/a 680n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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n/an/a 680n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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n/an/a 820n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50326292
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50326292
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50326292
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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n/an/a>9.40E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50326292
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326294
PNG
(3-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-3-5-14(6-4-13)24-10-15(16-9-22-11-23-16)12-2-1-7-21-8-12/h1-9,11,15H,10H2,(H,22,23)
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n/an/an/an/a 67n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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n/an/an/an/a 38n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326285
PNG
((S)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326296
PNG
(2-((1H-imidazol-4-yl)methyl)pyridine | 2-(3H-Imida...)
Show SMILES C(c1cnc[nH]1)c1ccccn1
Show InChI InChI=1S/C9H9N3/c1-2-4-11-8(3-1)5-9-6-10-7-12-9/h1-4,6-7H,5H2,(H,10,12)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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n/an/an/an/a 0.670n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326295
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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n/an/an/an/a 140n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326289
PNG
(4-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-9,11,15H,10H2,(H,22,23)
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n/an/an/an/a 140n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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n/an/an/an/a 0.75n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326287
PNG
(2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)15-7-9-16(10-8-15)24-13-17(19-12-21-14-23-19)18-6-4-5-11-22-18/h4-12,14,17H,13H2,1-3H3,(H,21,23)
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n/an/an/an/a 15n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326290
PNG
(2-(1H-Imidazol-4-yl)-N-methyl-3-(4-(trifluoromethy...)
Show SMILES CNCC(CSc1ccc(cc1)C(F)(F)F)c1cnc[nH]1
Show InChI InChI=1S/C14H16F3N3S/c1-18-6-10(13-7-19-9-20-13)8-21-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,20)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22910
PNG
(4-(1H-imidazol-5-ylmethyl)pyridine | Immethridine)
Show SMILES C(c1cnc[nH]1)c1ccncc1
Show InChI InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
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n/an/an/an/a 1.10n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326292
PNG
(4-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
Show InChI InChI=1S/C20H29N3S/c1-20(2,3)16-4-6-17(7-5-16)24-13-18(19-12-22-14-23-19)15-8-10-21-11-9-15/h4-7,12,14-15,18,21H,8-11,13H2,1-3H3,(H,22,23)
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n/an/an/an/a 540n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326297
PNG
(3-((1H-imidazol-4-yl)methyl)pyridine | 3-(3H-Imida...)
Show SMILES C(c1cnc[nH]1)c1cccnc1
Show InChI InChI=1S/C9H9N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h1-3,5-7H,4H2,(H,11,12)
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n/an/an/an/a 140n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326291
PNG
(3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-...)
Show SMILES CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1
Show InChI InChI=1S/C17H25N3S/c1-17(2,3)14-5-7-15(8-6-14)21-11-13(9-18-4)16-10-19-12-20-16/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,19,20)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326286
PNG
((R)-4-(1-(1H-Imidazol-4-yl)-2-(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
Show InChI InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)/t15-/m1/s1
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n/an/an/an/a 74n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326293
PNG
(2-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)
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n/an/an/an/a 48n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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n/an/an/an/a 22n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%