Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50413174'   

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))	BDBM50413174 (CHEMBL513755) Show SMILES NC(NC(=O)CC(c1nccs1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:20.22| Show InChI InChI=1S/C19H20F2N6OS/c20-15-4-3-12(8-16(15)21)14(18-24-6-7-29-18)9-17(28)27-19(22)25-5-1-2-13-10-23-11-26-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,23,26)(H3,22,25,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50.1	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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