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 = 'BDBM58242'   

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)	BDBM58242 (3-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1...) Show SMILES COc1ccc(cc1)-c1c([nH]n2c1nc(cc2=O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C20H14F3N3O2/c1-28-14-9-7-13(8-10-14)17-18(20(21,22)23)25-26-16(27)11-15(24-19(17)26)12-5-3-2-4-6-12/h2-11,25H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+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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