Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase' and Ligand = 'BDBM50028364'   

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 (Escherichia coli)	BDBM50028364 (CHEMBL3342260) Show SMILES COc1ccc(cc1OC)C(CCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C13H20NO7P/c1-14(16)13(15)7-6-12(22(17,18)19)9-4-5-10(20-2)11(8-9)21-3/h4-5,8,12,16H,6-7H2,1-3H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50028364 (CHEMBL3342260) Show SMILES COc1ccc(cc1OC)C(CCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C13H20NO7P/c1-14(16)13(15)7-6-12(22(17,18)19)9-4-5-10(20-2)11(8-9)21-3/h4-5,8,12,16H,6-7H2,1-3H3,(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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair