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 = 'BDBM50026353'   

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 (Mycobacterium tuberculosis)	BDBM50026353 (CHEMBL3139953) Show SMILES ON(CCCP(O)(O)=O)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C13H20NO5P/c15-13(14(16)10-5-11-20(17,18)19)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Dxr				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
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