BindingDB logo
myBDB logout

null

SMILES: COCCNC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO

InChI Key: InChIKey=BLMLFZODNVBPBB-IBGZPJMESA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50491055   
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)		BDBM50491055
PNG
(CHEMBL2377570)
Show SMILES COCCNC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H23N3O5/c1-30-14-13-23-20(26)15-19(22(28)25-29)24-21(27)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-6,9-12,19,29H,13-15H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20...

Bioorg Med Chem Lett 23: 2362-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.055
BindingDB Entry DOI: 10.7270/Q2F76GGD
More data for this
Ligand-Target Pair