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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 = 'BDBM50186275'   
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))
BDBM50186275
PNG
(3-(methylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-2...)
Show SMILES CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1
Show InChI InChI=1S/C19H30N2O3S/c1-25(22,23)21-13-8-17-6-7-19(16-18(17)9-14-21)24-15-5-12-20-10-3-2-4-11-20/h6-7,16H,2-5,8-15H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
12.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50186275
PNG
(3-(methylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-2...)
Show SMILES CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1
Show InChI InChI=1S/C19H30N2O3S/c1-25(22,23)21-13-8-17-6-7-19(16-18(17)9-14-21)24-15-5-12-20-10-3-2-4-11-20/h6-7,16H,2-5,8-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
38.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor


Bioorg Med Chem Lett 16: 3415-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.004
BindingDB Entry DOI: 10.7270/Q2WM1D07
More data for this
Ligand-Target Pair