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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 20 entry = 50031719   
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))
BDBM50317871
PNG
(4-(2-(Phenylamino)ethyl)-1H-imidazole | CHEMBL1096...)
Show SMILES C(Cc1cnc[nH]1)Nc1ccccc1
Show InChI InChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)
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Article
PubMed
n/an/an/an/a 320n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 640n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317863
PNG
(4-(2-(4-Methoxyphenylamino)ethyl)-1H-imidazole | C...)
Show SMILES COc1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14)
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n/an/an/an/a 65n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317864
PNG
(4-(2-(4-Trifluoromethylphenylamino)ethyl)-1H-imida...)
Show SMILES FC(F)(F)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C12H11F3N2S/c13-12(14,15)9-1-3-11(4-2-9)18-6-5-10-7-16-8-17-10/h1-4,7-8H,5-6H2,(H,16,17)
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n/an/an/an/a 19n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317872
PNG
(4-(2-(Cyclohexylamino)ethyl)-1H-imidazole | CHEMBL...)
Show SMILES C(Cc1cnc[nH]1)NC1CCCCC1
Show InChI InChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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n/an/an/an/a 0.75n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillat...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair