Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-3-O-acyl-N-acetylglucosamine deacetylase' and Ligand = 'BDBM264806'   

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-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM264806 (US9718792, 43) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-n1nccn1)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C16H19N5O5S/c1-16(15(22)19-23,27(2,24)25)10-13-9-14(20-26-13)11-3-5-12(6-4-11)21-17-7-8-18-21/h3-8,13,23H,9-10H2,1-2H3,(H,19,22)/t13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...				US Patent US9718792 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T4Z
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