Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Shiga toxin subunit A' and Ligand = 'BDBM50429775'   

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)	BDBM50429775 (CHEMBL2336353 | N-(2-Hydroxyphenyl)Cinnamamide) Show SMILES Oc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C15H13NO2/c17-14-9-5-4-8-13(14)16-15(18)11-10-12-6-2-1-3-7-12/h1-11,17H,(H,16,18)/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.87E+4	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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