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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 = 'BDBM50327492'   
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))
BDBM50327492
PNG
(8-(3-(piperidin-1-yl)propoxy)-3,4-dihydropyrazino[...)
Show SMILES O=C1NCCn2c1cc1cc(OCCCN3CCCCC3)ccc21
Show InChI InChI=1S/C19H25N3O2/c23-19-18-14-15-13-16(5-6-17(15)22(18)11-7-20-19)24-12-4-10-21-8-2-1-3-9-21/h5-6,13-14H,1-4,7-12H2,(H,20,23)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-RAMH from human histamine H3 receptor


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50327492
PNG
(8-(3-(piperidin-1-yl)propoxy)-3,4-dihydropyrazino[...)
Show SMILES O=C1NCCn2c1cc1cc(OCCCN3CCCCC3)ccc21
Show InChI InChI=1S/C19H25N3O2/c23-19-18-14-15-13-16(5-6-17(15)22(18)11-7-20-19)24-12-4-10-21-8-2-1-3-9-21/h5-6,13-14H,1-4,7-12H2,(H,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 74n/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair