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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for entry = 50047989   
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)
BDBM50200120
PNG
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)
Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1
PDB

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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a<2.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild-type Pseudomonas aeruginosa PAO1 LpxC assessed as deacetylation preincubated for 30 mins followed by addition of UDP-3-O-(R-hydrox...


Bioorg Med Chem 24: 6320-6331 (2016)


Article DOI: 10.1016/j.bmc.2016.05.004
BindingDB Entry DOI: 10.7270/Q2VQ34NX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)