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 = 'BDBM264901'   

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)	BDBM264901 (US9718792, 77) Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)-c1ccc(cc1)-n1nccn1)(C(=O)NO)S(C)(=O)=O |r,c:5| Show InChI InChI=1S/C22H23N5O5S/c1-22(21(28)25-29,33(2,30)31)14-19-13-20(26-32-19)17-5-3-15(4-6-17)16-7-9-18(10-8-16)27-23-11-12-24-27/h3-12,19,29H,13-14H2,1-2H3,(H,25,28)/t19-,22-/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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