Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50314300'   

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))	BDBM50314300 (1-(1-ethylpiperidin-4-yl)-3-(4-fluorobenzyl)-1-(4-...) Show SMILES CCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(CO)cc1 Show InChI InChI=1S/C22H28FN3O2/c1-2-25-13-11-21(12-14-25)26(20-9-5-18(16-27)6-10-20)22(28)24-15-17-3-7-19(23)8-4-17/h3-10,21,27H,2,11-16H2,1H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	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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