Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose-5-phosphate synthase' and Ligand = 'BDBM50263927'   

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 synthase (Mycobacterium tuberculosis)	BDBM50263927 (CHEMBL491398 | methyl 2-(3-(4-bromophenyl)-7-oxo-2...) Show SMILES COC(=O)Cc1cc(=O)n2[nH]c(c(-c3ccc(Br)cc3)c2n1)C(F)(F)F Show InChI InChI=1S/C16H11BrF3N3O3/c1-26-12(25)7-10-6-11(24)23-15(21-10)13(14(22-23)16(18,19)20)8-2-4-9(17)5-3-8/h2-6,22H,7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
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