Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Shiga toxin subunit A' and Ligand = 'BDBM76395'   

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
Shiga toxin subunit A (Shigella dysenteriae)	BDBM76395 ((E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-prop...) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...				J Med Chem 59: 10763-10773 (2016) Article DOI: 10.1021/acs.jmedchem.6b01517 BindingDB Entry DOI: 10.7270/Q2571DZG
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