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PubMed code 22014551

Compile data set for download or QSAR
Found 33 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))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358577
PNG
(CHEMBL1923738)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H28N2O2/c1-18-7-5-14-26(18)15-6-16-28-20-12-10-19(11-13-20)23-17-25(2)24(27)22-9-4-3-8-21(22)23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358572
PNG
(CHEMBL1923733)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O2/c1-20-7-5-16-26(20)17-6-18-29-24-13-10-21(11-14-24)22-12-15-25(28)27(19-22)23-8-3-2-4-9-23/h2-4,8-15,19-20H,5-7,16-18H2,1H3/t20-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358574
PNG
(CHEMBL1923735)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)c1
Show InChI InChI=1S/C26H30N2O2/c1-21-7-5-16-27(21)17-6-18-30-25-13-10-23(11-14-25)24-12-15-26(29)28(20-24)19-22-8-3-2-4-9-22/h2-4,8-15,20-21H,5-7,16-19H2,1H3/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358577
PNG
(CHEMBL1923738)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H28N2O2/c1-18-7-5-14-26(18)15-6-16-28-20-12-10-19(11-13-20)23-17-25(2)24(27)22-9-4-3-8-21(22)23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358575
PNG
(CHEMBL1923736)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C#N)c(=O)n(C)c1
Show InChI InChI=1S/C21H25N3O2/c1-16-5-3-10-24(16)11-4-12-26-20-8-6-17(7-9-20)19-13-18(14-22)21(25)23(2)15-19/h6-9,13,15-16H,3-5,10-12H2,1-2H3/t16-/m1/s1
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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 expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358569
PNG
(CHEMBL1923730)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-11-22(16)12-4-14-24-19-8-6-17(7-9-19)18-10-13-21(2)20(23)15-18/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3/t16-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358575
PNG
(CHEMBL1923736)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(C#N)c(=O)n(C)c1
Show InChI InChI=1S/C21H25N3O2/c1-16-5-3-10-24(16)11-4-12-26-20-8-6-17(7-9-20)19-13-18(14-22)21(25)23(2)15-19/h6-9,13,15-16H,3-5,10-12H2,1-2H3/t16-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358576
PNG
(CHEMBL1923737)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1
Show InChI InChI=1S/C26H30N2O2/c1-20-8-6-15-28(20)16-7-17-30-24-13-11-21(12-14-24)23-18-25(26(29)27(2)19-23)22-9-4-3-5-10-22/h3-5,9-14,18-20H,6-8,15-17H2,1-2H3/t20-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358573
PNG
(CHEMBL1923734)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN2O2/c1-19-4-2-15-27(19)16-3-17-30-24-12-5-20(6-13-24)21-7-14-25(29)28(18-21)23-10-8-22(26)9-11-23/h5-14,18-19H,2-4,15-17H2,1H3/t19-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358570
PNG
(CHEMBL1923731)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cccc(=O)n1C
Show InChI InChI=1S/C20H26N2O2/c1-16-6-4-13-22(16)14-5-15-24-18-11-9-17(10-12-18)19-7-3-8-20(23)21(19)2/h3,7-12,16H,4-6,13-15H2,1-2H3/t16-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358568
PNG
(CHEMBL1923728)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358576
PNG
(CHEMBL1923737)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1
Show InChI InChI=1S/C26H30N2O2/c1-20-8-6-15-28(20)16-7-17-30-24-13-11-21(12-14-24)23-18-25(26(29)27(2)19-23)22-9-4-3-5-10-22/h3-5,9-14,18-20H,6-8,15-17H2,1-2H3/t20-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358568
PNG
(CHEMBL1923728)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/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 rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358573
PNG
(CHEMBL1923734)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN2O2/c1-19-4-2-15-27(19)16-3-17-30-24-12-5-20(6-13-24)21-7-14-25(29)28(18-21)23-10-8-22(26)9-11-23/h5-14,18-19H,2-4,15-17H2,1H3/t19-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358574
PNG
(CHEMBL1923735)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)c1
Show InChI InChI=1S/C26H30N2O2/c1-21-7-5-16-27(21)17-6-18-30-25-13-10-23(11-14-25)24-12-15-26(29)28(20-24)19-22-8-3-2-4-9-22/h2-4,8-15,20-21H,5-7,16-19H2,1H3/t21-/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 rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358569
PNG
(CHEMBL1923730)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccn(C)c(=O)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-11-22(16)12-4-14-24-19-8-6-17(7-9-19)18-10-13-21(2)20(23)15-18/h6-10,13,15-16H,3-5,11-12,14H2,1-2H3/t16-/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 rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358571
PNG
(CHEMBL1923732)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cccn(C)c1=O
Show InChI InChI=1S/C20H26N2O2/c1-16-6-3-13-22(16)14-5-15-24-18-10-8-17(9-11-18)19-7-4-12-21(2)20(19)23/h4,7-12,16H,3,5-6,13-15H2,1-2H3/t16-/m1/s1
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18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358572
PNG
(CHEMBL1923733)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(c1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O2/c1-20-7-5-16-26(20)17-6-18-29-24-13-10-21(11-14-24)22-12-15-25(28)27(19-22)23-8-3-2-4-9-23/h2-4,8-15,19-20H,5-7,16-18H2,1H3/t20-/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 rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358570
PNG
(CHEMBL1923731)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cccc(=O)n1C
Show InChI InChI=1S/C20H26N2O2/c1-16-6-4-13-22(16)14-5-15-24-18-11-9-17(10-12-18)19-7-3-8-20(23)21(19)2/h3,7-12,16H,4-6,13-15H2,1-2H3/t16-/m1/s1
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21n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358578
PNG
(CHEMBL1923739)
Show SMILES C[C@@H]1CCCN1CCCOc1cccc(c1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-6-4-11-22(16)12-5-13-24-19-8-3-7-17(14-19)18-9-10-20(23)21(2)15-18/h3,7-10,14-16H,4-6,11-13H2,1-2H3/t16-/m1/s1
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112n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358571
PNG
(CHEMBL1923732)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cccn(C)c1=O
Show InChI InChI=1S/C20H26N2O2/c1-16-6-3-13-22(16)14-5-15-24-18-10-8-17(9-11-18)19-7-4-12-21(2)20(19)23/h4,7-12,16H,3,5-6,13-15H2,1-2H3/t16-/m1/s1
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144n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358578
PNG
(CHEMBL1923739)
Show SMILES C[C@@H]1CCCN1CCCOc1cccc(c1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-6-4-11-22(16)12-5-13-24-19-8-3-7-17(14-19)18-9-10-20(23)21(2)15-18/h3,7-10,14-16H,4-6,11-13H2,1-2H3/t16-/m1/s1
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>500n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/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 CYP1A2


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/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 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/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 CYP3A4


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/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 CYP2C9


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/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 CYP2C19


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50358567
PNG
(CHEMBL1923729)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C20H26N2O2/c1-16-5-3-12-22(16)13-4-14-24-19-9-6-17(7-10-19)18-8-11-20(23)21(2)15-18/h6-11,15-16H,3-5,12-14H2,1-2H3/t16-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of basal activity of human histamine H3 receptor expressed in CHO cells assessed as inhibition of RAHM-induced [35S]GTPgammaS binding afte...


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%