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 = 'BDBM50263928'   

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)	BDBM50263928 (3-(4-bromophenyl)-5-methyl-2-(trifluoromethyl)pyra...) Show SMILES Cc1cc(=O)n2[nH]c(c(-c3ccc(Br)cc3)c2n1)C(F)(F)F Show InChI InChI=1S/C14H9BrF3N3O/c1-7-6-10(22)21-13(19-7)11(12(20-21)14(16,17)18)8-2-4-9(15)5-3-8/h2-6,20H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	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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