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 = 'BDBM264812'   

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)	BDBM264812 (US9718792, 45) Show SMILES C[C@@H](O)Cc1ccc(cc1)-c1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,t:18| Show InChI InChI=1S/C23H28N2O6S/c1-15(26)12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-13-20(31-25-21)14-23(2,22(27)24-28)32(3,29)30/h4-11,15,20,26,28H,12-14H2,1-3H3,(H,24,27)/t15-,20-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	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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