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 = 'BDBM50485082'   

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)	BDBM50485082 (CHEMBL2023400) Show SMILES COc1ccc(cc1)-c1ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c1 |r| Show InChI InChI=1S/C18H22N2O6S/c1-18(17(22)19-23,27(3,24)25)9-11-20-10-8-14(12-16(20)21)13-4-6-15(26-2)7-5-13/h4-8,10,12,23H,9,11H2,1-3H3,(H,19,22)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC expressed in Escherichia coli using UDP-3-O-N-acetylglucosamine substrate measured after 30 mins by mass sp...				J Med Chem 55: 1662-70 (2012) Article DOI: 10.1021/jm2014875 BindingDB Entry DOI: 10.7270/Q2W38050
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