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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase' and Ligand = 'BDBM50466401'   
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
Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase


(Escherichia coli (Enterobacteria))		BDBM50466401
PNG
(CHEMBL4284398)
Show SMILES NS(=O)(=O)C[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@@H](CO)O[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C21H27NO7S/c22-30(25,26)14-17-19(24)20(27-12-15-7-3-1-4-8-15)18(11-23)29-21(17)28-13-16-9-5-2-6-10-16/h1-10,17-21,23-24H,11-14H2,(H2,22,25,26)/t17-,18-,19-,20-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+6n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli PgaB expressed in Escherichia coli BL21 (DE3) cells transformed with pET28 plasmid coding for PgaB42-655 using acetoxy...

Bioorg Med Chem 26: 5631-5643 (2018)


Article DOI: 10.1016/j.bmc.2018.10.008
BindingDB Entry DOI: 10.7270/Q208681D
More data for this
Ligand-Target Pair