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PubMed code 9871722

Compile data set for download or QSAR
Found 14 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))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
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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0.180n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070217
PNG
(3-(3-Bromo-4-methoxy-phenyl)-2-[(E)-hydroxyimino]-...)
Show SMILES COc1ccc(CC(N=O)C(=O)NCCc2cnc[nH]2)cc1Br
Show InChI InChI=1S/C15H17BrN4O3/c1-23-14-3-2-10(6-12(14)16)7-13(20-22)15(21)18-5-4-11-8-17-9-19-11/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,21)
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0.5n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070214
PNG
(4-(7,7-Dimethyl-oct-3-ynyl)-1H-imidazole | CHEMBL2...)
Show SMILES CC(C)(C)CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C13H20N2/c1-13(2,3)9-7-5-4-6-8-12-10-14-11-15-12/h10-11H,6-9H2,1-3H3,(H,14,15)
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0.800n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070220
PNG
(4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole | CHEMBL...)
Show SMILES C(CC1CCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1(3-7-13-8-5-6-9-13)2-4-10-14-11-15-12-16-14/h11-13H,3-10H2,(H,15,16)
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0.950n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM7967
PNG
(1-methyl-5-(beta-aminoethyl)-imidazole | 2-(1-meth...)
Show SMILES Cn1cncc1CCN
Show InChI InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3
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1n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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1.5n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was evaluated against histamine H3 receptor using [3H]- N-alpha-methylhistamine as radioligand in experiment 2


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070211
PNG
(4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole | CHEMBL1...)
Show SMILES C(CC1CCCCC1)C#CCCc1cnc[nH]1
Show InChI InChI=1S/C15H22N2/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14/h12-14H,3-11H2,(H,16,17)
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2.90n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070216
PNG
(4-(8-Phenyl-oct-3-ynyl)-1H-imidazole | CHEMBL14811)
Show SMILES C(CCc1ccccc1)CC#CCCc1cnc[nH]1
Show InChI InChI=1S/C17H20N2/c1(2-4-9-13-17-14-18-15-19-17)3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15H,1,3,6,9-10,13H2,(H,18,19)
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3.5n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070212
PNG
(4-(7-Methyl-oct-3-ynyl)-1H-imidazole | CHEMBL14497)
Show SMILES CC(C)CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C12H18N2/c1-11(2)7-5-3-4-6-8-12-9-13-10-14-12/h9-11H,5-8H2,1-2H3,(H,13,14)
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3.70n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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4.30n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was evaluated against histamine H3 receptor using [3H]- N-alpha-methylhistamine as radioligand in experiment 1


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070213
PNG
(3-(4-Chloro-benzyl)-5-[2-(1H-imidazol-4-yl)-ethyl]...)
Show SMILES Clc1ccc(Cc2noc(CCc3cnc[nH]3)n2)cc1
Show InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)
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7n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070215
PNG
(4-Hept-3-ynyl-1H-imidazole | CHEMBL276804)
Show SMILES CCCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h8-9H,2-3,6-7H2,1H3,(H,11,12)
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27n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM86490
PNG
(CAS_0 | CHEMBL14812 | GT 2016 | NSC_0)
Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)
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40n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50070219
PNG
(4-Hex-3-ynyl-1H-imidazole | CHEMBL14721)
Show SMILES CCC#CCCc1cnc[nH]1
Show InChI InChI=1S/C9H12N2/c1-2-3-4-5-6-9-7-10-8-11-9/h7-8H,2,5-6H2,1H3,(H,10,11)
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79n/an/an/an/an/an/an/an/a



Gliatech Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor


Bioorg Med Chem Lett 8: 1133-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GF0SPX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%