Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50217106'   

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))	BDBM50217106 (CHEMBL317900) Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C22H27BrN2O3/c1-2-27-22(26)25-15-13-24(14-16-25)12-3-17-28-21-10-6-19(7-11-21)18-4-8-20(23)9-5-18/h4-11H,2-3,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	182	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 of human cortical histamine H1 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair