Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'H(+)-exporting diphosphatase' and Ligand = 'BDBM50138728'   

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
H(+)-exporting diphosphatase (Trypanosoma brucei)	BDBM50138728 (CHEMBL333503 | [(3-tert-butyl-phenyl)-aminomethyle...) Show SMILES CC(C)(C)c1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C11H19NO6P2/c1-11(2,3)8-5-4-6-9(7-8)12-10(19(13,14)15)20(16,17)18/h4-7,10,12H,1-3H3,(H2,13,14,15)(H2,16,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli				J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2
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