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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 = 'BDBM50485078'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Pseudomonas aeruginosa)		BDBM50485078
PNG
(CHEMBL2023521)
Show SMILES COc1cnc(nc1)-c1ccc(cc1)-c1ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c1 |r|
Show InChI InChI=1S/C22H24N4O6S/c1-22(21(28)25-29,33(3,30)31)9-11-26-10-8-17(12-19(26)27)15-4-6-16(7-5-15)20-23-13-18(32-2)14-24-20/h4-8,10,12-14,29H,9,11H2,1-3H3,(H,25,28)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/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
More data for this
Ligand-Target Pair