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PubMed code 15745824

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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 H1 receptor


(RAT)		BDBM50162859
PNG
(2,3-Dihydro-benzo[1,4]dioxine-5-carboxylic acid {1...)
Show SMILES CN1CCN(CC1)S(=O)(=O)CCCN1CCC(CNC(=O)c2cccc3OCCOc23)CC1
Show InChI InChI=1S/C23H36N4O5S/c1-25-11-13-27(14-12-25)33(29,30)17-3-8-26-9-6-19(7-10-26)18-24-23(28)20-4-2-5-21-22(20)32-16-15-31-21/h2,4-5,19H,3,6-18H2,1H3,(H,24,28)
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n/an/a 100n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition towards central histamine H1 receptor

Bioorg Med Chem Lett 15: 1697-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.039
BindingDB Entry DOI: 10.7270/Q2CV4H8Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%