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 = 'BDBM50469548'   

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)	BDBM50469548 (CHEMBL4073216) Show SMILES C[C@@H](N)[C@H](NC(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C)C(=O)NO |r,wU:7.6,3.17,1.0,wD:10.13,(50.54,-18.48,;51.87,-19.24,;53.2,-18.47,;51.88,-20.78,;50.55,-21.56,;49.21,-20.79,;49.21,-19.25,;47.88,-21.57,;47.89,-23.1,;46.55,-23.88,;45.22,-23.11,;45.21,-21.57,;46.55,-20.8,;43.88,-23.88,;42.55,-23.11,;43.88,-25.42,;42.54,-24.64,;53.22,-21.55,;53.22,-23.09,;54.55,-20.77,;55.88,-21.54,)| Show InChI InChI=1S/C15H29N3O3/c1-9(16)12(14(20)18-21)17-13(19)10-5-7-11(8-6-10)15(2,3)4/h9-12,21H,5-8,16H2,1-4H3,(H,17,19)(H,18,20)/t9-,10-,11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
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