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 = 'BDBM50263872'   

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)	BDBM50263872 (3-(4-chlorophenyl)-5-(methoxymethyl)pyrazolo[1,5-a...) Show SMILES COCc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 Show InChI InChI=1S/C14H12ClN3O2/c1-20-8-11-6-13(19)18-14(17-11)12(7-16-18)9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3	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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