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PubMed code 12190321

Compile data set for download or QSAR
Found 55 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 H3 receptor


(Rattus norvegicus (rat))
BDBM50118157
PNG
(CHEMBL128635 | [1-(1-Methyl-cyclopropyl)-ethyl]-ca...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
Show InChI InChI=1S/C13H21N3O2/c1-10(13(2)5-6-13)16-12(17)18-7-3-4-11-8-14-9-15-11/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
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5.10n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118151
PNG
(4-[3-(4,4-Dimethyl-pentyloxy)-propyl]-1H-imidazole...)
Show SMILES CC(C)(C)CCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C13H24N2O/c1-13(2,3)7-5-9-16-8-4-6-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
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5.40n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118157
PNG
(CHEMBL128635 | [1-(1-Methyl-cyclopropyl)-ethyl]-ca...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
Show InChI InChI=1S/C13H21N3O2/c1-10(13(2)5-6-13)16-12(17)18-7-3-4-11-8-14-9-15-11/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
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6n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370140
PNG
(CHEMBL1788227)
Show SMILES C[C@@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C |r|
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t10-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118159
PNG
(CHEMBL340932 | Dicyclopropylmethyl-carbamic acid 3...)
Show SMILES O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H21N3O2/c18-14(17-13(10-3-4-10)11-5-6-11)19-7-1-2-12-8-15-9-16-12/h8-11,13H,1-7H2,(H,15,16)(H,17,18)
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8.20n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370139
PNG
(CHEMBL1788247)
Show SMILES C[C@@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C15H25N3O2/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50409581
PNG
(CHEMBL2092970)
Show SMILES C[C@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C |r|
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118156
PNG
(4-[3-(3,3-Dimethyl-butoxy)-propyl]-1H-imidazole | ...)
Show SMILES CC(C)(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)6-8-15-7-4-5-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
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10n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118159
PNG
(CHEMBL340932 | Dicyclopropylmethyl-carbamic acid 3...)
Show SMILES O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H21N3O2/c18-14(17-13(10-3-4-10)11-5-6-11)19-7-1-2-12-8-15-9-16-12/h8-11,13H,1-7H2,(H,15,16)(H,17,18)
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11n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118156
PNG
(4-[3-(3,3-Dimethyl-butoxy)-propyl]-1H-imidazole | ...)
Show SMILES CC(C)(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)6-8-15-7-4-5-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
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11n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50370140
PNG
(CHEMBL1788227)
Show SMILES C[C@@H](NC(=O)OCCCc1cnc[nH]1)C(C)(C)C |r|
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t10-/m1/s1
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13n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118155
PNG
((1,2,2-Trimethyl-propyl)-carbamic acid 3-(1H-imida...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
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13n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118152
PNG
(4-[3-(5,5-Dimethyl-hexyloxy)-propyl]-1H-imidazole;...)
Show SMILES CC(C)(C)CCCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C14H26N2O/c1-14(2,3)8-4-5-9-17-10-6-7-13-11-15-12-16-13/h11-12H,4-10H2,1-3H3,(H,15,16)
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14n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118149
PNG
((1-Cyclohexyl-ethyl)-carbamic acid 3-(1H-imidazol-...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1CCCCC1
Show InChI InChI=1S/C15H25N3O2/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
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16n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118160
PNG
((1-Cyclopropyl-ethyl)-carbamic acid 3-(1H-imidazol...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1CC1
Show InChI InChI=1S/C12H19N3O2/c1-9(10-4-5-10)15-12(16)17-6-2-3-11-7-13-8-14-11/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
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20n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118162
PNG
((Cyclopropyl-phenyl-methyl)-carbamic acid 3-(1H-im...)
Show SMILES O=C(NC(C1CC1)c1ccccc1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H21N3O2/c21-17(22-10-4-7-15-11-18-12-19-15)20-16(14-8-9-14)13-5-2-1-3-6-13/h1-3,5-6,11-12,14,16H,4,7-10H2,(H,18,19)(H,20,21)
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44n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118153
PNG
((Cyclohexyl-phenyl-methyl)-carbamic acid 3-(1H-imi...)
Show SMILES O=C(NC(C1CCCCC1)c1ccccc1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C20H27N3O2/c24-20(25-13-7-12-18-14-21-15-22-18)23-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,14-15,17,19H,2,5-7,10-13H2,(H,21,22)(H,23,24)
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56n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118161
PNG
((1-tert-Butyl-2,2-dimethyl-propyl)-carbamic acid 3...)
Show SMILES CC(C)(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C16H29N3O2/c1-15(2,3)13(16(4,5)6)19-14(20)21-9-7-8-12-10-17-11-18-12/h10-11,13H,7-9H2,1-6H3,(H,17,18)(H,19,20)
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77n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50118150
PNG
(4-[3-(1,3,3-Trimethyl-butoxy)-propyl]-1H-imidazole...)
Show SMILES CC(CC(C)(C)C)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H24N2O/c1-11(8-13(2,3)4)16-7-5-6-12-9-14-10-15-12/h9-11H,5-8H2,1-4H3,(H,14,15)
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119n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118158
PNG
(1-[3-(3,3-Dimethyl-butoxy)-propyl]-piperidine;1.1C...)
Show SMILES CC(C)(C)CCOCCCN1CCCCC1
Show InChI InChI=1S/C14H29NO/c1-14(2,3)8-13-16-12-7-11-15-9-5-4-6-10-15/h4-13H2,1-3H3
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286n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118154
PNG
(2,2-Dimethyl-propionic acid 3-(1H-imidazol-4-yl)-p...)
Show SMILES CC(C)(C)C(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H18N2O2/c1-11(2,3)10(14)15-6-4-5-9-7-12-8-13-9/h7-8H,4-6H2,1-3H3,(H,12,13)
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1.73E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118158
PNG
(1-[3-(3,3-Dimethyl-butoxy)-propyl]-piperidine;1.1C...)
Show SMILES CC(C)(C)CCOCCCN1CCCCC1
Show InChI InChI=1S/C14H29NO/c1-14(2,3)8-13-16-12-7-11-15-9-5-4-6-10-15/h4-13H2,1-3H3
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n/an/an/a 316n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50409579
PNG
(CHEMBL130005)
Show SMILES CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C
Show InChI InChI=1S/C15H30N2O2/c1-13(15(2,3)4)16-14(18)19-12-8-11-17-9-6-5-7-10-17/h13H,5-12H2,1-4H3,(H,16,18)
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n/an/an/a 3.16E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H2 receptor of guinea pig atrium


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50409580
PNG
(CHEMBL131366)
Show SMILES CC(C)C(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H21N3O2/c1-9(2)10(3)15-12(16)17-6-4-5-11-7-13-8-14-11/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
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n/an/an/a>1.00E+5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50409579
PNG
(CHEMBL130005)
Show SMILES CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C
Show InChI InChI=1S/C15H30N2O2/c1-13(15(2,3)4)16-14(18)19-12-8-11-17-9-6-5-7-10-17/h13H,5-12H2,1-4H3,(H,16,18)
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n/an/an/a 3.98E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118155
PNG
((1,2,2-Trimethyl-propyl)-carbamic acid 3-(1H-imida...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
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n/an/an/a 12.6n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118158
PNG
(1-[3-(3,3-Dimethyl-butoxy)-propyl]-piperidine;1.1C...)
Show SMILES CC(C)(C)CCOCCCN1CCCCC1
Show InChI InChI=1S/C14H29NO/c1-14(2,3)8-13-16-12-7-11-15-9-5-4-6-10-15/h4-13H2,1-3H3
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n/an/an/a 2.51E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118150
PNG
(4-[3-(1,3,3-Trimethyl-butoxy)-propyl]-1H-imidazole...)
Show SMILES CC(CC(C)(C)C)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H24N2O/c1-11(8-13(2,3)4)16-7-5-6-12-9-14-10-15-12/h9-11H,5-8H2,1-4H3,(H,14,15)
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n/an/an/a 50.1n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118151
PNG
(4-[3-(4,4-Dimethyl-pentyloxy)-propyl]-1H-imidazole...)
Show SMILES CC(C)(C)CCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C13H24N2O/c1-13(2,3)7-5-9-16-8-4-6-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
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n/an/an/a 25.1n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50409577
PNG
(CHEMBL336499)
Show SMILES CC1(C)C(NC(=O)OCCCc2cnc[nH]2)C1(C)C
Show InChI InChI=1S/C14H23N3O2/c1-13(2)11(14(13,3)4)17-12(18)19-7-5-6-10-8-15-9-16-10/h8-9,11H,5-7H2,1-4H3,(H,15,16)(H,17,18)
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n/an/an/a 12.6n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118157
PNG
(CHEMBL128635 | [1-(1-Methyl-cyclopropyl)-ethyl]-ca...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
Show InChI InChI=1S/C13H21N3O2/c1-10(13(2)5-6-13)16-12(17)18-7-3-4-11-8-14-9-15-11/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/an/a 15.8n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50409578
PNG
(CHEMBL2112321)
Show SMILES C[C@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C15H25N3O2/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118160
PNG
((1-Cyclopropyl-ethyl)-carbamic acid 3-(1H-imidazol...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1CC1
Show InChI InChI=1S/C12H19N3O2/c1-9(10-4-5-10)15-12(16)17-6-2-3-11-7-13-8-14-11/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
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n/an/an/a 19.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118150
PNG
(4-[3-(1,3,3-Trimethyl-butoxy)-propyl]-1H-imidazole...)
Show SMILES CC(CC(C)(C)C)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H24N2O/c1-11(8-13(2,3)4)16-7-5-6-12-9-14-10-15-12/h9-11H,5-8H2,1-4H3,(H,14,15)
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n/an/an/a 5.01E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118151
PNG
(4-[3-(4,4-Dimethyl-pentyloxy)-propyl]-1H-imidazole...)
Show SMILES CC(C)(C)CCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C13H24N2O/c1-13(2,3)7-5-9-16-8-4-6-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118153
PNG
((Cyclohexyl-phenyl-methyl)-carbamic acid 3-(1H-imi...)
Show SMILES O=C(NC(C1CCCCC1)c1ccccc1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C20H27N3O2/c24-20(25-13-7-12-18-14-21-15-22-18)23-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,14-15,17,19H,2,5-7,10-13H2,(H,21,22)(H,23,24)
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n/an/an/a 7.94E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118162
PNG
((Cyclopropyl-phenyl-methyl)-carbamic acid 3-(1H-im...)
Show SMILES O=C(NC(C1CC1)c1ccccc1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H21N3O2/c21-17(22-10-4-7-15-11-18-12-19-15)20-16(14-8-9-14)13-5-2-1-3-6-13/h1-3,5-6,11-12,14,16H,4,7-10H2,(H,18,19)(H,20,21)
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n/an/an/a 3.16E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118152
PNG
(4-[3-(5,5-Dimethyl-hexyloxy)-propyl]-1H-imidazole;...)
Show SMILES CC(C)(C)CCCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C14H26N2O/c1-14(2,3)8-4-5-9-17-10-6-7-13-11-15-12-16-13/h11-12H,4-10H2,1-3H3,(H,15,16)
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n/an/an/a 39.8n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118157
PNG
(CHEMBL128635 | [1-(1-Methyl-cyclopropyl)-ethyl]-ca...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
Show InChI InChI=1S/C13H21N3O2/c1-10(13(2)5-6-13)16-12(17)18-7-3-4-11-8-14-9-15-11/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/an/a>1.00E+5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
The compound was evaluated for pA2 at Histamine H2 receptor of guinea pig atrium


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118152
PNG
(4-[3-(5,5-Dimethyl-hexyloxy)-propyl]-1H-imidazole;...)
Show SMILES CC(C)(C)CCCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C14H26N2O/c1-14(2,3)8-4-5-9-17-10-6-7-13-11-15-12-16-13/h11-12H,4-10H2,1-3H3,(H,15,16)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50409578
PNG
(CHEMBL2112321)
Show SMILES C[C@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C15H25N3O2/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
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n/an/an/a 12.6n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50370139
PNG
(CHEMBL1788247)
Show SMILES C[C@@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C15H25N3O2/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
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n/an/an/a 5.01E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118162
PNG
((Cyclopropyl-phenyl-methyl)-carbamic acid 3-(1H-im...)
Show SMILES O=C(NC(C1CC1)c1ccccc1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H21N3O2/c21-17(22-10-4-7-15-11-18-12-19-15)20-16(14-8-9-14)13-5-2-1-3-6-13/h1-3,5-6,11-12,14,16H,4,7-10H2,(H,18,19)(H,20,21)
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n/an/an/a 19.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50409580
PNG
(CHEMBL131366)
Show SMILES CC(C)C(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H21N3O2/c1-9(2)10(3)15-12(16)17-6-4-5-11-7-13-8-14-11/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
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n/an/an/a 19.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118153
PNG
((Cyclohexyl-phenyl-methyl)-carbamic acid 3-(1H-imi...)
Show SMILES O=C(NC(C1CCCCC1)c1ccccc1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C20H27N3O2/c24-20(25-13-7-12-18-14-21-15-22-18)23-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,8-9,14-15,17,19H,2,5-7,10-13H2,(H,21,22)(H,23,24)
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n/an/an/a 100n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118160
PNG
((1-Cyclopropyl-ethyl)-carbamic acid 3-(1H-imidazol...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1CC1
Show InChI InChI=1S/C12H19N3O2/c1-9(10-4-5-10)15-12(16)17-6-2-3-11-7-13-8-14-11/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118161
PNG
((1-tert-Butyl-2,2-dimethyl-propyl)-carbamic acid 3...)
Show SMILES CC(C)(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C16H29N3O2/c1-15(2,3)13(16(4,5)6)19-14(20)21-9-7-8-12-10-17-11-18-12/h10-11,13H,7-9H2,1-6H3,(H,17,18)(H,19,20)
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n/an/an/a 12.6n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118159
PNG
(CHEMBL340932 | Dicyclopropylmethyl-carbamic acid 3...)
Show SMILES O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H21N3O2/c18-14(17-13(10-3-4-10)11-5-6-11)19-7-1-2-12-8-15-9-16-12/h8-11,13H,1-7H2,(H,15,16)(H,17,18)
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n/an/an/a>5.01E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118161
PNG
((1-tert-Butyl-2,2-dimethyl-propyl)-carbamic acid 3...)
Show SMILES CC(C)(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C16H29N3O2/c1-15(2,3)13(16(4,5)6)19-14(20)21-9-7-8-12-10-17-11-18-12/h10-11,13H,7-9H2,1-6H3,(H,17,18)(H,19,20)
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n/an/an/a 1.26E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118159
PNG
(CHEMBL340932 | Dicyclopropylmethyl-carbamic acid 3...)
Show SMILES O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H21N3O2/c18-14(17-13(10-3-4-10)11-5-6-11)19-7-1-2-12-8-15-9-16-12/h8-11,13H,1-7H2,(H,15,16)(H,17,18)
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n/an/an/a 1n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118155
PNG
((1,2,2-Trimethyl-propyl)-carbamic acid 3-(1H-imida...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
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n/an/an/a>3.16E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50370139
PNG
(CHEMBL1788247)
Show SMILES C[C@@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
Show InChI InChI=1S/C15H25N3O2/c1-12(13-6-3-2-4-7-13)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
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n/an/an/a 19.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50118157
PNG
(CHEMBL128635 | [1-(1-Methyl-cyclopropyl)-ethyl]-ca...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
Show InChI InChI=1S/C13H21N3O2/c1-10(13(2)5-6-13)16-12(17)18-7-3-4-11-8-14-9-15-11/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/an/a 1.58E+5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50409576
PNG
(CHEMBL130850)
Show SMILES CC(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)C
Show InChI InChI=1S/C14H25N3O2/c1-10(2)13(11(3)4)17-14(18)19-7-5-6-12-8-15-9-16-12/h8-11,13H,5-7H2,1-4H3,(H,15,16)(H,17,18)
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n/an/an/a 10n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50409579
PNG
(CHEMBL130005)
Show SMILES CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C
Show InChI InChI=1S/C15H30N2O2/c1-13(15(2,3)4)16-14(18)19-12-8-11-17-9-6-5-7-10-17/h13H,5-12H2,1-4H3,(H,16,18)
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n/an/an/a 3.98E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%