Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50413178'   

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))	BDBM50413178 (CHEMBL469749) Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccc(F)cc1)=NCCCc1cnc[nH]1 |w:20.22| Show InChI InChI=1S/C22H24FN5O/c23-18-10-8-17(9-11-18)20(16-5-2-1-3-6-16)13-21(29)28-22(24)26-12-4-7-19-14-25-15-27-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13H2,(H,25,27)(H3,24,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55.0	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity				J Med Chem 51: 7193-204 (2009) Article DOI: 10.1021/jm800841w BindingDB Entry DOI: 10.7270/Q2RN38T6
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