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SMILES: C[C@@](CCn1ccc(cc1=O)-c1ccc2ccccc2c1)(C(=O)NO)S(C)(=O)=O

InChI Key: InChIKey=WWCJHUPMFCOUFO-OAQYLSRUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485084   
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


(Pseudomonas aeruginosa)		BDBM50485084
PNG
(CHEMBL2023518)
Show SMILES C[C@@](CCn1ccc(cc1=O)-c1ccc2ccccc2c1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H22N2O5S/c1-21(20(25)22-26,29(2,27)28)10-12-23-11-9-18(14-19(23)24)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13-14,26H,10,12H2,1-2H3,(H,22,25)/t21-/m1/s1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LpxC expressed in Escherichia coli using UDP-3-O-N-acetylglucosamine substrate measured after 30 mins by mass sp...

J Med Chem 55: 1662-70 (2012)


Article DOI: 10.1021/jm2014875
BindingDB Entry DOI: 10.7270/Q2W38050
More data for this
Ligand-Target Pair