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SMILES: COc1cc(ccc1N1C[C@H](OC1=O)C(=O)NO)C#CC#CC1CC1

InChI Key: InChIKey=CIJBEWGYIWQQOE-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50501142   
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)		BDBM50501142
PNG
(CHEMBL3828607)
Show SMILES COc1cc(ccc1N1C[C@H](OC1=O)C(=O)NO)C#CC#CC1CC1 |r|
Show InChI InChI=1S/C18H16N2O5/c1-24-15-10-13(5-3-2-4-12-6-7-12)8-9-14(15)20-11-16(17(21)19-23)25-18(20)22/h8-10,12,16,23H,6-7,11H2,1H3,(H,19,21)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/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