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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50003545   
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))
BDBM50222968
PNG
(Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472544
PNG
(Iodoproxyfan)
Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472544
PNG
(Iodoproxyfan)
Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472543
PNG
(CHEMBL278276)
Show SMILES [H][C@]1(C[C@@]1([H])c1c[nH]cn1)\C=C\[C@@H](N)CC1CCCCC1
Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/b7-6+/t13-,14-,15-/m1/s1
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0.398n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50214615
PNG
(CHEBI:64177 | Clobenpropit)
Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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1n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50214615
PNG
(CHEBI:64177 | Clobenpropit)
Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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1n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050180
PNG
(4-[3-(4-Bromo-benzyloxy)-propyl]-1H-imidazole | CH...)
Show SMILES Brc1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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1.26n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050180
PNG
(4-[3-(4-Bromo-benzyloxy)-propyl]-1H-imidazole | CH...)
Show SMILES Brc1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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1.26n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50215536
PNG
((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...)
Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472551
PNG
(proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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3.16n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472551
PNG
(proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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5n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
PKi was measured by Histamine H3 receptor binding assay (N-alpha-MeHA) on rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472556
PNG
(CHEMBL428343)
Show SMILES N[C@H](COCC1CCCCC1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H23N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h7,10-12H,1-6,8-9,14H2,(H,15,16)/t12-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472542
PNG
(CHEMBL18554)
Show SMILES [H][C@@]1(C[C@]1([H])c1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C15H18N4O/c16-12(6-10-4-2-1-3-5-10)15(20)19-13-7-11(13)14-8-17-9-18-14/h1-5,8-9,11-13H,6-7,16H2,(H,17,18)(H,19,20)/t11-,12-,13-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127605
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472547
PNG
(CHEMBL19413)
Show SMILES N[C@H](COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m0/s1
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50.1n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472545
PNG
(CHEMBL418736)
Show SMILES N[C@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16BrN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m0/s1
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79.4n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472546
PNG
(CHEMBL19469)
Show SMILES [H][C@]1(C[C@@]1([H])c1c[nH]cn1)\C=C/[C@@H](N)CC1CCCCC1
Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/b7-6-/t13-,14-,15-/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472552
PNG
(CHEMBL18696)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]cn1
Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472559
PNG
((S)-Alpha-Methylhistamine | CHEMBL11919)
Show SMILES C[C@H](N)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
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158n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472560
PNG
(CHEMBL276987)
Show SMILES N[C@@H](COCC1CCCCC1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H23N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h7,10-12H,1-6,8-9,14H2,(H,15,16)/t12-/m1/s1
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158n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472558
PNG
(CHEMBL18685)
Show SMILES N[C@@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16BrN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m1/s1
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199n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472550
PNG
(CHEMBL19329)
Show SMILES N[C@@H](COCc1ccc(I)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16IN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m1/s1
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199n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472549
PNG
(CHEBI:16255 | HISTIDINOL)
Show SMILES N[C@H](CO)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
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251n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472557
PNG
(CHEMBL416365)
Show SMILES N[C@H](COCc1ccc(I)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16IN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m0/s1
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251n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472554
PNG
(CHEMBL280034)
Show SMILES N[C@@H](COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m1/s1
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316n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472548
PNG
(CHEMBL418734)
Show SMILES COC[C@@H](N)Cc1c[nH]cn1
Show InChI InChI=1S/C7H13N3O/c1-11-4-6(8)2-7-3-9-5-10-7/h3,5-6H,2,4,8H2,1H3,(H,9,10)/t6-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472553
PNG
(CHEMBL19588)
Show SMILES N[C@@H](CO)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m1/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472555
PNG
(CHEMBL18884)
Show SMILES N[C@H](Cc1ccccc1)C(=O)NCCc1c[nH]cn1
Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair