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SMILES: CC(C)(NS(C)(=O)=O)[C@H](NC(=O)c1ccc(cc1)-c1cc2ccc(OCCO)cc2o1)C(=O)NO

InChI Key: InChIKey=SCWDDTXXWQNGLF-HXUWFJFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501392   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)		BDBM50501392
PNG
(CHEMBL4071539)
Show SMILES CC(C)(NS(C)(=O)=O)[C@H](NC(=O)c1ccc(cc1)-c1cc2ccc(OCCO)cc2o1)C(=O)NO |r|
Show InChI InChI=1S/C23H27N3O8S/c1-23(2,26-35(3,31)32)20(22(29)25-30)24-21(28)15-6-4-14(5-7-15)18-12-16-8-9-17(33-11-10-27)13-19(16)34-18/h4-9,12-13,20,26-27,30H,10-11H2,1-3H3,(H,24,28)(H,25,29)/t20-/m1/s1
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate after 60 mins by OPA reagent based fluorescence assay

Bioorg Med Chem Lett 27: 1045-1049 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.059
BindingDB Entry DOI: 10.7270/Q2MC9313
More data for this
Ligand-Target Pair