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 = 'BDBM563152'   

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 (Escherichia coli)	BDBM563152 (US11407740, Compound 23) Show SMILES CNC(=O)C(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
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