Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylenolpyruvoylglucosamine reductase' and Ligand = 'BDBM50221020'   

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
UDP-N-acetylenolpyruvoylglucosamine reductase (Staphylococcus aureus (Firmicutes))	BDBM50221020 (CHEMBL87126) Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-1-3-8(4-2-7)17-11(18)10-9(16-17)5-6-19-10/h1-4,18H,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase				Bioorg Med Chem Lett 13: 2591-4 (2003) BindingDB Entry DOI: 10.7270/Q20P126D
					More data for this Ligand-Target Pair