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PubMed code 22297111

Compile data set for download or QSAR
Found 32 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))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365051
PNG
(CHEMBL1951060)
Show SMILES CC(N1CCOCC1)C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1
Show InChI InChI=1S/C21H32N2O3/c1-17-5-3-10-22(17)11-4-14-26-20-8-6-19(7-9-20)21(24)18(2)23-12-15-25-16-13-23/h6-9,17-18H,3-5,10-16H2,1-2H3/t17-,18?/m1/s1
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8n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365052
PNG
(CHEMBL1951061)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)C(C)(C)N1CCOCC1
Show InChI InChI=1S/C22H34N2O3/c1-18-6-4-11-23(18)12-5-15-27-20-9-7-19(8-10-20)21(25)22(2,3)24-13-16-26-17-14-24/h7-10,18H,4-6,11-17H2,1-3H3/t18-/m1/s1
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365053
PNG
(CHEMBL1951062)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C22H34N2O3/c1-17-6-4-11-24(17)12-5-13-26-21-9-7-20(8-10-21)22(25)16-23-14-18(2)27-19(3)15-23/h7-10,17-19H,4-6,11-16H2,1-3H3/t17-,18-,19+/m1/s1
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10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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12n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365054
PNG
(CHEMBL1951063)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)c(C)c1
Show InChI InChI=1S/C21H32N2O3/c1-17-15-19(26-12-4-9-23-8-3-5-18(23)2)6-7-20(17)21(24)16-22-10-13-25-14-11-22/h6-7,15,18H,3-5,8-14,16H2,1-2H3/t18-/m1/s1
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19n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365044
PNG
(CHEMBL1951052)
Show SMILES O=C(CN1CCCCC1)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C20H30N2O2/c23-20(17-22-13-2-1-3-14-22)18-7-9-19(10-8-18)24-16-6-15-21-11-4-5-12-21/h7-10H,1-6,11-17H2
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32n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365052
PNG
(CHEMBL1951061)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)C(C)(C)N1CCOCC1
Show InChI InChI=1S/C22H34N2O3/c1-18-6-4-11-23(18)12-5-15-27-20-9-7-19(8-10-20)21(25)22(2,3)24-13-16-26-17-14-24/h7-10,18H,4-6,11-17H2,1-3H3/t18-/m1/s1
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33n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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50n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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56n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365046
PNG
(CHEMBL1951054)
Show SMILES O=C(CN1CCOCC1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H30N2O3/c23-20(17-22-12-15-24-16-13-22)18-5-7-19(8-6-18)25-14-4-11-21-9-2-1-3-10-21/h5-8H,1-4,9-17H2
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66n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365053
PNG
(CHEMBL1951062)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C22H34N2O3/c1-17-6-4-11-24(17)12-5-13-26-21-9-7-20(8-10-21)22(25)16-23-14-18(2)27-19(3)15-23/h7-10,17-19H,4-6,11-16H2,1-3H3/t17-,18-,19+/m1/s1
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78n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365047
PNG
(CHEMBL1951056)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m0/s1
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100n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365051
PNG
(CHEMBL1951060)
Show SMILES CC(N1CCOCC1)C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1
Show InChI InChI=1S/C21H32N2O3/c1-17-5-3-10-22(17)11-4-14-26-20-8-6-19(7-9-20)21(24)18(2)23-12-15-25-16-13-23/h6-9,17-18H,3-5,10-16H2,1-2H3/t17-,18?/m1/s1
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105n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365045
PNG
(CHEMBL1951053)
Show SMILES O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O3/c22-19(16-21-11-14-23-15-12-21)17-4-6-18(7-5-17)24-13-3-10-20-8-1-2-9-20/h4-7H,1-3,8-16H2
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106n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365044
PNG
(CHEMBL1951052)
Show SMILES O=C(CN1CCCCC1)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C20H30N2O2/c23-20(17-22-13-2-1-3-14-22)18-7-9-19(10-8-18)24-16-6-15-21-11-4-5-12-21/h7-10H,1-6,11-17H2
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174n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365054
PNG
(CHEMBL1951063)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)c(C)c1
Show InChI InChI=1S/C21H32N2O3/c1-17-15-19(26-12-4-9-23-8-3-5-18(23)2)6-7-20(17)21(24)16-22-10-13-25-14-11-22/h6-7,15,18H,3-5,8-14,16H2,1-2H3/t18-/m1/s1
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244n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365046
PNG
(CHEMBL1951054)
Show SMILES O=C(CN1CCOCC1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H30N2O3/c23-20(17-22-12-15-24-16-13-22)18-5-7-19(8-6-18)25-14-4-11-21-9-2-1-3-10-21/h5-8H,1-4,9-17H2
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440n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365045
PNG
(CHEMBL1951053)
Show SMILES O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O3/c22-19(16-21-11-14-23-15-12-21)17-4-6-18(7-5-17)24-13-3-10-20-8-1-2-9-20/h4-7H,1-3,8-16H2
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594n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365047
PNG
(CHEMBL1951056)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m0/s1
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885n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365048
PNG
(CHEMBL1951057)
Show SMILES CC1(C)CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C21H32N2O3/c1-21(2)9-3-10-23(21)11-4-14-26-19-7-5-18(6-8-19)20(24)17-22-12-15-25-16-13-22/h5-8H,3-4,9-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365048
PNG
(CHEMBL1951057)
Show SMILES CC1(C)CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C21H32N2O3/c1-21(2)9-3-10-23(21)11-4-14-26-19-7-5-18(6-8-19)20(24)17-22-12-15-25-16-13-22/h5-8H,3-4,9-17H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365050
PNG
(CHEMBL1951059)
Show SMILES COC[C@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C21H32N2O4/c1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22/h5-8,19H,2-4,9-17H2,1H3/t19-/m1/s1
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1.17E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365050
PNG
(CHEMBL1951059)
Show SMILES COC[C@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C21H32N2O4/c1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22/h5-8,19H,2-4,9-17H2,1H3/t19-/m1/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365049
PNG
(CHEMBL1951058)
Show SMILES COC[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C21H32N2O4/c1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22/h5-8,19H,2-4,9-17H2,1H3/t19-/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365049
PNG
(CHEMBL1951058)
Show SMILES COC[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C21H32N2O4/c1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22/h5-8,19H,2-4,9-17H2,1H3/t19-/m0/s1
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>3.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50365043
PNG
(CHEMBL1951055)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1
Show InChI InChI=1S/C20H30N2O3/c1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h5-8,17H,2-4,9-16H2,1H3/t17-/m1/s1
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n/an/an/an/a 5.5n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%