Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase' and Ligand = 'BDBM50185363'   

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)	BDBM50185363 ((1R,2S)-2-[N-(formyl),N-(hydroxy)aminomethyl]-cycl...) Show SMILES ON(C[C@@H]1C[C@H]1P(O)(O)=O)C=O Show InChI InChI=1S/C5H10NO5P/c7-3-6(8)2-4-1-5(4)12(9,10)11/h3-5,8H,1-2H2,(H2,9,10,11)/t4-,5+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli DXR				J Med Chem 49: 2656-60 (2006) Article DOI: 10.1021/jm051177c BindingDB Entry DOI: 10.7270/Q22F7N24
					More data for this Ligand-Target Pair				3D Structure (docked)