Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50217417'   

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 H1 receptor (Homo sapiens (Human))	BDBM50217417 (CHEMBL102452) Show SMILES NC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C21H25N3O/c22-16-17-2-4-18(5-3-17)19-6-8-21(9-7-19)25-15-1-12-24-13-10-20(23)11-14-24/h2-9,20H,1,10-15,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cortical Histamine 1 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair