Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trehalose-phosphatase' and Ligand = 'BDBM50235457'   

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
Trehalose-phosphatase (Brugia malayi)	BDBM50235457 (CHEMBL4094282) Show SMILES O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@H](Oc2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C12H16O9S/c13-9-8(6-19-22(16,17)18)21-12(11(15)10(9)14)20-7-4-2-1-3-5-7/h1-5,8-15H,6H2,(H,16,17,18)/t8-,9-,10+,11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico Curated by ChEMBL					Assay Description Reversible competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 128: 274-286 (2017) Article DOI: 10.1016/j.ejmech.2017.02.001 BindingDB Entry DOI: 10.7270/Q2736T58
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