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SMILES: ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(C#CC#CC2CC2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=KEPWJXINCBIWDT-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501139   
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)		BDBM50501139
PNG
(CHEMBL3827962)
Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(C#CC#CC2CC2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H13N3O6/c21-16(18-23)15-10-19(17(22)26-15)13-8-7-12(14(9-13)20(24)25)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10H2,(H,18,21)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/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 measured after 60 mins by fluorescence analysis

ACS Med Chem Lett 7: 623-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV
More data for this
Ligand-Target Pair