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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50031249   
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))
BDBM50309834
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...)
Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309848
PNG
((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1
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3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309847
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r|
Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309837
PNG
(1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2
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10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309845
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...)
Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309851
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-indol-1-yl)meth...)
Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2ccc3ccccc23)cc1 |r|
Show InChI InChI=1S/C24H27N3O/c28-24(27-16-12-22(18-27)25-13-3-4-14-25)21-9-7-19(8-10-21)17-26-15-11-20-5-1-2-6-23(20)26/h1-2,5-11,15,22H,3-4,12-14,16-18H2/t22-/m0/s1
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15n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309843
PNG
((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-methyl-1H...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50309834
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...)
Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1
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21.7n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309844
PNG
(1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazol-1-...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2
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23n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309846
PNG
((R)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...)
Show SMILES O=C(N1CC[C@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m1/s1
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27n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309839
PNG
((S)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m0/s1
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65n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309836
PNG
((3-(ethyl(methyl)amino)pyrrolidin-1-yl)(4-((2-phen...)
Show SMILES CCN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3
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91n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309835
PNG
((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-phenyl-1H...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309853
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((5-chloro-1H-indol-...)
Show SMILES Clc1ccc2n(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)ccc2c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-21-7-8-23-20(15-21)9-13-27(23)16-18-3-5-19(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1
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130n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309852
PNG
((S)-1,3'-bipyrrolidin-1'-yl(4-((6-chloro-1H-indol-...)
Show SMILES Clc1ccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c2c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c25-21-8-7-19-9-13-27(23(19)15-21)16-18-3-5-20(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1
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150n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309841
PNG
((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-(pyridin-...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccn2)cc1
Show InChI InChI=1S/C26H27N5O/c1-29(2)21-14-16-30(18-21)26(32)20-12-10-19(11-13-20)17-31-24-9-4-3-7-22(24)28-25(31)23-8-5-6-15-27-23/h3-13,15,21H,14,16-18H2,1-2H3
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235n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309842
PNG
((4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)(3-(di...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4O/c1-23(2)18-11-12-24(14-18)21(26)17-9-7-16(8-10-17)13-25-15-22-19-5-3-4-6-20(19)25/h3-10,15,18H,11-14H2,1-2H3
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390n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309849
PNG
(1,3'-bipyrrolidin-1'-yl(3-((1H-benzo[d]imidazol-1-...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C23H26N4O/c28-23(26-13-10-20(16-26)25-11-3-4-12-25)19-7-5-6-18(14-19)15-27-17-24-21-8-1-2-9-22(21)27/h1-2,5-9,14,17,20H,3-4,10-13,15-16H2
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400n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309840
PNG
((R)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m1/s1
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440n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309838
PNG
((3-((2-hydroxyethyl)(methyl)amino)pyrrolidin-1-yl)...)
Show SMILES CN(CCO)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-30(17-18-33)24-15-16-31(20-24)28(34)23-13-11-21(12-14-23)19-32-26-10-6-5-9-25(26)29-27(32)22-7-3-2-4-8-22/h2-14,24,33H,15-20H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50309850
PNG
(1,3'-bipyrrolidin-1'-yl(2-((1H-benzo[d]imidazol-1-...)
Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccccc1Cn1cnc2ccccc12
Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-19(16-26)25-12-5-6-13-25)20-8-2-1-7-18(20)15-27-17-24-21-9-3-4-10-22(21)27/h1-4,7-10,17,19H,5-6,11-16H2
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4.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry


Bioorg Med Chem Lett 20: 1237-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.122
BindingDB Entry DOI: 10.7270/Q2028RNZ
More data for this
Ligand-Target Pair