Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50441654'   

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 (GUINEA PIG)	BDBM50441654 (CHEMBL2437431) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccccn3)c2=O)ccn1 Show InChI InChI=1S/C29H32FN7O2/c30-22-4-5-24-25(18-22)37(27-3-1-2-11-33-27)29(39)36(24)23-9-15-35(16-10-23)28(38)21-7-13-34(14-8-21)19-20-6-12-32-26(31)17-20/h1-6,11-12,17-18,21,23H,7-10,13-16,19H2,(H2,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates				Bioorg Med Chem Lett 23: 6001-3 (2013) Article DOI: 10.1016/j.bmcl.2013.08.012 BindingDB Entry DOI: 10.7270/Q2542Q1F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50441654 (CHEMBL2437431) Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccccn3)c2=O)ccn1 Show InChI InChI=1S/C29H32FN7O2/c30-22-4-5-24-25(18-22)37(27-3-1-2-11-33-27)29(39)36(24)23-9-15-35(16-10-23)28(38)21-7-13-34(14-8-21)19-20-6-12-32-26(31)17-20/h1-6,11-12,17-18,21,23H,7-10,13-16,19H2,(H2,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum				Bioorg Med Chem Lett 23: 6001-3 (2013) Article DOI: 10.1016/j.bmcl.2013.08.012 BindingDB Entry DOI: 10.7270/Q2542Q1F
					More data for this Ligand-Target Pair