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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50127838'   
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))
BDBM50127838
PNG
(1-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-...)
Show SMILES Cc1c(cn2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1C
Show InChI InChI=1S/C24H30N2O/c1-19-17-21(27-16-8-14-25-12-5-3-6-13-25)10-11-22(19)23-18-26-15-7-4-9-24(26)20(23)2/h4,7,9-11,15,17-18H,3,5-6,8,12-14,16H2,1-2H3
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Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Botswana

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Eur J Med Chem 46: 5237-57 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.042
BindingDB Entry DOI: 10.7270/Q2ZG6SNF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50127838
PNG
(1-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-...)
Show SMILES Cc1c(cn2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1C
Show InChI InChI=1S/C24H30N2O/c1-19-17-21(27-16-8-14-25-12-5-3-6-13-25)10-11-22(19)23-18-26-15-7-4-9-24(26)20(23)2/h4,7,9-11,15,17-18H,3,5-6,8,12-14,16H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

Patents


Similars

PubMed
11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L. L. C.

Curated by ChEMBL


Assay Description
Binding affinity towards human Histamine H3 receptor using [3H]-N-methyl-histamine as radioligand


Bioorg Med Chem Lett 13: 1767-70 (2003)


BindingDB Entry DOI: 10.7270/Q21835V3
More data for this
Ligand-Target Pair