Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase' and Ligand = 'BDBM50422669'   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50422669 (CHEMBL607359 | UK-513) Show SMILES CC(CCN(O)C(C)=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(13(10,11)12)3-4-7(9)6(2)8/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Curated by ChEMBL					Assay Description Inhibitory concentration against DOXP reductoisomerase				J Med Chem 48: 3547-63 (2005) Article DOI: 10.1021/jm0491501 BindingDB Entry DOI: 10.7270/Q2VH5Q21
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