Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Decaprenylphosphoryl-beta-D-ribose oxidase' and Ligand = 'BDBM50528106'   

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
Decaprenylphosphoryl-beta-D-ribose oxidase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50528106 (CHEMBL4462807) Show SMILES CC1(NC(=O)N(CC(=O)c2nccs2)C1=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O5S2/c1-15(9-2-4-10(5-3-9)26(16,23)24)13(21)19(14(22)18-15)8-11(20)12-17-6-7-25-12/h2-7H,8H2,1H3,(H,18,22)(H2,16,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells				J Med Chem 63: 5367-5386 (2020) Article DOI: 10.1021/acs.jmedchem.0c00107 BindingDB Entry DOI: 10.7270/Q24M9817
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