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 = 'BDBM50437796'   

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 (Mycobacterium tuberculosis)	BDBM50437796 (CHEMBL2407187) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H15Cl2F3NO6P/c18-12-6-5-10(9-13(12)19)15(30(26,27)28)7-8-23(25)16(24)11-3-1-2-4-14(11)29-17(20,21)22/h1-6,9,15,25H,7-8H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437796 (CHEMBL2407187) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H15Cl2F3NO6P/c18-12-6-5-10(9-13(12)19)15(30(26,27)28)7-8-23(25)16(24)11-3-1-2-4-14(11)29-17(20,21)22/h1-6,9,15,25H,7-8H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair