Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'H(+)-exporting diphosphatase' and Ligand = 'BDBM50173802'   

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)	BDBM50173802 ((Bis-phosphono-methyl)-((S)-1-naphthalen-1-yl-ethy...) Show SMILES C[C@H](N=C(P(O)(O)O)P(O)(O)=O)c1cccc2ccccc12 |w:3.3| Show InChI InChI=1S/C13H17NO6P2/c1-9(14-13(21(15,16)17)22(18,19)20)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,15-17,21H,1H3,(H2,18,19,20)/t9-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.97E+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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