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PubMed code 25827402

Compile data set for download or QSAR
Found 54 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))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079582
PNG
(CHEMBL3417582)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1
Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m1/s1
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7n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079599
PNG
(CHEMBL3417506)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m0/s1
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13n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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13n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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14n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079598
PNG
(CHEMBL3417507)
Show SMILES O=C1NN=C(C2CC12)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O2/c23-19-17-13-16(17)18(20-21-19)14-5-7-15(8-6-14)24-12-4-11-22-9-2-1-3-10-22/h5-8,16-17H,1-4,9-13H2,(H,21,23)
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19n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079580
PNG
(CHEMBL3417584)
Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12
Show InChI InChI=1S/C20H27N3O2/c1-14-12-15(25-11-5-10-23-8-3-2-4-9-23)6-7-16(14)19-17-13-18(17)20(24)22-21-19/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,22,24)
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39n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079581
PNG
(CHEMBL3417583)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1
Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m0/s1
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49n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079598
PNG
(CHEMBL3417507)
Show SMILES O=C1NN=C(C2CC12)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O2/c23-19-17-13-16(17)18(20-21-19)14-5-7-15(8-6-14)24-12-4-11-22-9-2-1-3-10-22/h5-8,16-17H,1-4,9-13H2,(H,21,23)
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54n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079599
PNG
(CHEMBL3417506)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m0/s1
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57n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079582
PNG
(CHEMBL3417582)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1
Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m1/s1
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66n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079581
PNG
(CHEMBL3417583)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C3CC23)c(C)c1
Show InChI InChI=1S/C20H27N3O2/c1-13-11-15(25-10-4-9-23-8-3-5-14(23)2)6-7-16(13)19-17-12-18(17)20(24)22-21-19/h6-7,11,14,17-18H,3-5,8-10,12H2,1-2H3,(H,22,24)/t14-,17?,18?/m0/s1
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103n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50079580
PNG
(CHEMBL3417584)
Show SMILES Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12
Show InChI InChI=1S/C20H27N3O2/c1-14-12-15(25-11-5-10-23-8-3-2-4-9-23)6-7-16(14)19-17-13-18(17)20(24)22-21-19/h6-7,12,17-18H,2-5,8-11,13H2,1H3,(H,22,24)
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139n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of alpha-2C adrenergic receptor (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of alpha-2C adrenergic receptor (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human H1R


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human H2R


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human H1R


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human H4R


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human H4R


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human H2R


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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1.02E+4n/an/an/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp technique


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp technique


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50079579
PNG
(CHEMBL3417505)
Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C
Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50079578
PNG
(CHEMBL3417504)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16?,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079575
PNG
(CHEMBL3417586)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of RAMH-induced [35S]GTPgammaS binding relative to control


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50079576
PNG
(CHEMBL3417585)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@@H]2C[C@H]12
Show InChI InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16+,17-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Teva Global R&D.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of RAMH-induced [35S]GTPgammaS binding relative to control


Eur J Med Chem 95: 349-56 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.054
BindingDB Entry DOI: 10.7270/Q2C24Z4M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%