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 = 'BDBM50335485'   

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)	BDBM50335485 ((R)-1-(3,4-dichlorophenyl)-3-(N-hydroxyacetamido)p...) Show SMILES CC(=O)N(O)CC[C@H](c1ccc(Cl)c(Cl)c1)P(O)(O)=O |r| Show InChI InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXR				ACS Med Chem Lett 2: 165-170 (2011) Article DOI: 10.1021/ml100243r BindingDB Entry DOI: 10.7270/Q2XD12NV
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