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 = 'BDBM50528597'   

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)	BDBM50528597 (CHEMBL4592986) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C12H18NO7PS/c1-13(15)11(14)7-22-12(21(16,17)18)8-4-9(19-2)6-10(5-8)20-3/h4-6,12,15H,7H2,1-3H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50528597 (CHEMBL4592986) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)N(C)O)P(O)(O)=O Show InChI InChI=1S/C12H18NO7PS/c1-13(15)11(14)7-22-12(21(16,17)18)8-4-9(19-2)6-10(5-8)20-3/h4-6,12,15H,7H2,1-3H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by phot...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058 BindingDB Entry DOI: 10.7270/Q2WW7N4Z
					More data for this Ligand-Target Pair