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Compile Data Set for Download or QSAR

Found 120 hits Enz. Inhib. hit(s) with all data for entry = 50048533   
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 H3 receptor


(Homo sapiens (Human))
BDBM50217410
PNG
(CHEMBL105762)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-17-4-5-18(2)24(17)14-3-15-25-22-12-10-21(11-13-22)20-8-6-19(16-23)7-9-20/h6-13,17-18H,3-5,14-15H2,1-2H3/t17-,18-/m1/s1
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0.676n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217412
PNG
(CHEMBL322873)
Show SMILES CC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C22H26N2O/c1-18-4-2-13-24(17-18)14-3-15-25-22-11-9-21(10-12-22)20-7-5-19(16-23)6-8-20/h5-12,18H,2-4,13-15,17H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217416
PNG
(CHEMBL105515)
Show SMILES CC1CCCC(C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H28N2O/c1-18-5-3-6-19(2)25(18)15-4-16-26-23-13-11-22(12-14-23)21-9-7-20(17-24)8-10-21/h7-14,18-19H,3-6,15-16H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50240709
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217413
PNG
(CHEMBL2112461)
Show SMILES C[C@@]1(O)CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c1-21(24)11-13-23(16-21)12-2-14-25-20-9-7-19(8-10-20)18-5-3-17(15-22)4-6-18/h3-10,24H,2,11-14,16H2,1H3/t21-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217410
PNG
(CHEMBL105762)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-17-4-5-18(2)24(17)14-3-15-25-22-12-10-21(11-13-22)20-8-6-19(16-23)7-9-20/h6-13,17-18H,3-5,14-15H2,1-2H3/t17-,18-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217149
PNG
(CHEMBL102984)
Show SMILES CC1CCCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-18-5-2-3-14-24(18)15-4-16-25-22-12-10-21(11-13-22)20-8-6-19(17-23)7-9-20/h6-13,18H,2-5,14-16H2,1H3
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7.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217101
PNG
(CHEMBL25688)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C20H22N2O/c21-16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23-15-3-14-22-12-1-2-13-22/h4-11H,1-3,12-15H2
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217150
PNG
(CHEMBL105967)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCNCC2)cc1
Show InChI InChI=1S/C21H25N3O/c22-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)25-16-2-14-24-13-1-11-23-12-15-24/h3-10,23H,1-2,11-16H2
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50240709
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217150
PNG
(CHEMBL105967)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCNCC2)cc1
Show InChI InChI=1S/C21H25N3O/c22-17-18-3-5-19(6-4-18)20-7-9-21(10-8-20)25-16-2-14-24-13-1-11-23-12-15-24/h3-10,23H,1-2,11-16H2
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217413
PNG
(CHEMBL2112461)
Show SMILES C[C@@]1(O)CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c1-21(24)11-13-23(16-21)12-2-14-25-20-9-7-19(8-10-20)18-5-3-17(15-22)4-6-18/h3-10,24H,2,11-14,16H2,1H3/t21-/m1/s1
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217418
PNG
(CHEMBL421026)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
Show InChI InChI=1S/C22H25N3O/c23-12-17-2-4-18(5-3-17)19-6-8-22(9-7-19)26-11-1-10-25-15-20-13-24-14-21(20)16-25/h2-9,20-21,24H,1,10-11,13-16H2
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217416
PNG
(CHEMBL105515)
Show SMILES CC1CCCC(C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H28N2O/c1-18-5-3-6-19(2)25(18)15-4-16-26-23-13-11-22(12-14-23)21-9-7-20(17-24)8-10-21/h7-14,18-19H,3-6,15-16H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217102
PNG
(CHEMBL318801)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m0/s1
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217149
PNG
(CHEMBL102984)
Show SMILES CC1CCCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H26N2O/c1-18-5-2-3-14-24(18)15-4-16-25-22-12-10-21(11-13-22)20-8-6-19(17-23)7-9-20/h6-13,18H,2-5,14-16H2,1H3
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217099
PNG
(CHEMBL106483)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H22N2O2/c21-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)24-13-1-10-22-11-14-23-15-12-22/h2-9H,1,10-15H2
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25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217412
PNG
(CHEMBL322873)
Show SMILES CC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C22H26N2O/c1-18-4-2-13-24(17-18)14-3-15-25-22-11-9-21(10-12-22)20-7-5-19(16-23)6-8-20/h5-12,18H,2-4,13-15,17H2,1H3
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217105
PNG
(CHEMBL320178)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C23H27N3O3/c1-2-28-23(27)26-15-13-25(14-16-26)12-3-17-29-22-10-8-21(9-11-22)20-6-4-19(18-24)5-7-20/h4-11H,2-3,12-17H2,1H3
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217415
PNG
(CHEMBL105669)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2C)C#N)CC1
Show InChI InChI=1S/C24H29N3O3/c1-3-29-24(28)27-14-12-26(13-15-27)11-4-16-30-22-8-6-21(7-9-22)23-10-5-20(18-25)17-19(23)2/h5-10,17H,3-4,11-16H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of human cortical histamine H1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217330
PNG
(CHEMBL106596)
Show SMILES OC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c22-15-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-14-2-13-23-12-1-3-20(24)16-23/h4-11,20,24H,1-3,12-14,16H2
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217414
PNG
(CHEMBL102416)
Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217099
PNG
(CHEMBL106483)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C20H22N2O2/c21-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)24-13-1-10-22-11-14-23-15-12-22/h2-9H,1,10-15H2
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36n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217101
PNG
(CHEMBL25688)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C20H22N2O/c21-16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23-15-3-14-22-12-1-2-13-22/h4-11H,1-3,12-15H2
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42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217112
PNG
(CHEMBL101692)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cc[nH]c2)CC1
Show InChI InChI=1S/C20H27N3O3/c1-2-25-20(24)23-13-11-22(12-14-23)10-3-15-26-19-6-4-17(5-7-19)18-8-9-21-16-18/h4-9,16,21H,2-3,10-15H2,1H3
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56n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217096
PNG
(CHEMBL105267)
Show SMILES N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H23N3O/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-23-12-10-19(22)15-23/h2-9,19H,1,10-13,15,22H2/t19-/m1/s1
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63n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217418
PNG
(CHEMBL421026)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
Show InChI InChI=1S/C22H25N3O/c23-12-17-2-4-18(5-3-17)19-6-8-22(9-7-19)26-11-1-10-25-15-20-13-24-14-21(20)16-25/h2-9,20-21,24H,1,10-11,13-16H2
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66n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217330
PNG
(CHEMBL106596)
Show SMILES OC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H24N2O2/c22-15-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-14-2-13-23-12-1-3-20(24)16-23/h4-11,20,24H,1-3,12-14,16H2
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81n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217500
PNG
(CHEMBL318320)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-3-17-30-21-10-6-19(7-11-21)18-4-8-20(9-5-18)25(27)28/h4-11H,2-3,12-17H2,1H3
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81n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cortical Histamine 1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217500
PNG
(CHEMBL318320)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-3-17-30-21-10-6-19(7-11-21)18-4-8-20(9-5-18)25(27)28/h4-11H,2-3,12-17H2,1H3
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98n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217415
PNG
(CHEMBL105669)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2C)C#N)CC1
Show InChI InChI=1S/C24H29N3O3/c1-3-29-24(28)27-14-12-26(13-15-27)11-4-16-30-22-8-6-21(7-9-22)23-10-5-20(18-25)17-19(23)2/h5-10,17H,3-4,11-16H2,1-2H3
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102n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217106
PNG
(CHEMBL317900)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C22H27BrN2O3/c1-2-27-22(26)25-15-13-24(14-16-25)12-3-17-28-21-10-6-19(7-11-21)18-4-8-20(23)9-5-18/h4-11H,2-3,12-17H2,1H3
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112n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217108
PNG
(CHEMBL105594)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCNCC2)cc1
Show InChI InChI=1S/C20H23N3O/c21-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)24-15-1-12-23-13-10-22-11-14-23/h2-9,22H,1,10-15H2
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117n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217414
PNG
(CHEMBL102416)
Show SMILES OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C21H24N2O2/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-23-13-10-20(24)11-14-23/h2-9,20,24H,1,10-15H2
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123n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217102
PNG
(CHEMBL318801)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m0/s1
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126n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217417
PNG
(CHEMBL102452)
Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C21H25N3O/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-24-13-10-20(23)11-14-24/h2-9,20H,1,10-15,23H2
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129n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217105
PNG
(CHEMBL320178)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C23H27N3O3/c1-2-28-23(27)26-15-13-25(14-16-26)12-3-17-29-22-10-8-21(9-11-22)20-6-4-19(18-24)5-7-20/h4-11H,2-3,12-17H2,1H3
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158n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of human cortical histamine H1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217113
PNG
(CHEMBL105952)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C22H27N3O5/c1-2-29-22(26)24-15-13-23(14-16-24)12-5-17-30-19-10-8-18(9-11-19)20-6-3-4-7-21(20)25(27)28/h3-4,6-11H,2,5,12-17H2,1H3
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162n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cortical Histamine 1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217106
PNG
(CHEMBL317900)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C22H27BrN2O3/c1-2-27-22(26)25-15-13-24(14-16-25)12-3-17-28-21-10-6-19(7-11-21)18-4-8-20(23)9-5-18/h4-11H,2-3,12-17H2,1H3
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182n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of human cortical histamine H1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217409
PNG
(CHEMBL105385)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-2-27-22(26)25-15-13-24(14-16-25)12-3-17-28-21-10-6-19(7-11-21)18-4-8-20(23)9-5-18/h4-11H,2-3,12-17H2,1H3
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191n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217417
PNG
(CHEMBL102452)
Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C21H25N3O/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-24-13-10-20(23)11-14-24/h2-9,20H,1,10-15,23H2
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200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217107
PNG
(CHEMBL105567)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C20H26N2O3S/c1-2-24-20(23)22-12-10-21(11-13-22)9-3-14-25-19-6-4-17(5-7-19)18-8-15-26-16-18/h4-8,15-16H,2-3,9-14H2,1H3
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209n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217097
PNG
(CHEMBL106602)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cccs2)CC1
Show InChI InChI=1S/C20H26N2O3S/c1-2-24-20(23)22-13-11-21(12-14-22)10-4-15-25-18-8-6-17(7-9-18)19-5-3-16-26-19/h3,5-9,16H,2,4,10-15H2,1H3
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229n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
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