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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50119723'   
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


(Rattus norvegicus (rat))		BDBM50119723
PNG
(CHEMBL430502 | N-{(S)-1-[3-(4-Acetyl-phenoxy)-prop...)
Show SMILES CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C23H25N3O3/c1-17(27)19-7-9-22(10-8-19)29-14-2-12-26-13-11-21(16-26)25-23(28)20-5-3-18(15-24)4-6-20/h3-10,21H,2,11-14,16H2,1H3,(H,25,28)/t21-/m0/s1
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 40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against rat histamine H3 receptor

Bioorg Med Chem Lett 12: 3055-8 (2002)


BindingDB Entry DOI: 10.7270/Q2B56J3P
More data for this
Ligand-Target Pair