Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Shiga toxin subunit A' and Ligand = 'BDBM50199613'   

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)	BDBM50199613 (CHEMBL3955063) Show SMILES CCCCSCCNCCNP(=S)(OCC)OCC Show InChI InChI=1S/C12H29N2O2PS2/c1-4-7-11-19-12-10-13-8-9-14-17(18,15-5-2)16-6-3/h13H,4-12H2,1-3H3,(H,14,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.38E+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
					More data for this Ligand-Target Pair