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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 = 'BDBM50326290'   
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))
BDBM50326290
PNG
(2-(1H-Imidazol-4-yl)-N-methyl-3-(4-(trifluoromethy...)
Show SMILES CNCC(CSc1ccc(cc1)C(F)(F)F)c1cnc[nH]1
Show InChI InChI=1S/C14H16F3N3S/c1-18-6-10(13-7-19-9-20-13)8-21-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,20)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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))
BDBM50326290
PNG
(2-(1H-Imidazol-4-yl)-N-methyl-3-(4-(trifluoromethy...)
Show SMILES CNCC(CSc1ccc(cc1)C(F)(F)F)c1cnc[nH]1
Show InChI InChI=1S/C14H16F3N3S/c1-18-6-10(13-7-19-9-20-13)8-21-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,18H,6,8H2,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/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