Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50314315'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histamine H3 receptor (Homo sapiens (Human))	BDBM50314315 (1-(4-bromophenyl)-1-(1-cyclopentylpiperidin-4-yl)-...) Show SMILES COc1ccc(CNC(=O)N(C2CCN(CC2)C2CCCC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H32BrN3O2/c1-31-24-12-6-19(7-13-24)18-27-25(30)29(22-10-8-20(26)9-11-22)23-14-16-28(17-15-23)21-4-2-3-5-21/h6-13,21,23H,2-5,14-18H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine 3 receptor				Bioorg Med Chem Lett 20: 2359-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.121 BindingDB Entry DOI: 10.7270/Q2Z31ZSM
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