Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50405166'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50405166 (CHEMBL555668) Show SMILES CNC(=N)NCCSCc1cnc[nH]1 Show InChI InChI=1S/C8H15N5S/c1-10-8(9)12-2-3-14-5-7-4-11-6-13-7/h4,6H,2-3,5H2,1H3,(H,11,13)(H3,9,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against H2 receptor in guinea pig.				J Med Chem 28: 1414-22 (1985) BindingDB Entry DOI: 10.7270/Q2P27096
					More data for this Ligand-Target Pair