Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50217105'   

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 H2 receptor (Homo sapiens (Human))	BDBM50217105 (CHEMBL320178) Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C23H27N3O3/c1-2-28-23(27)26-15-13-25(14-16-26)12-3-17-29-22-10-8-21(9-11-22)20-6-4-19(18-24)5-7-20/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	2.88E+4	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 to the human cortical histamine H2 receptor				Bioorg Med Chem Lett 12: 3077-9 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1P38
					More data for this Ligand-Target Pair