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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50326293'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50326293
PNG
(2-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326293
PNG
(2-(1-(1H-Imidazole-4-yl)-2-(4-trifluoromeethylphen...)
Show SMILES FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 48n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair