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BDBM50483393 CHEMBL1668453

SMILES: C[C@@H](O)[C@@H](NC(=O)N1CCN(CC1)c1ccc(cc1)C#Cc1ccc(F)cc1)C(=O)NO

InChI Key: InChIKey=GXLPANUCGDDVAH-IIBYNOLFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50483393   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-3-O-acyl-GlcNAc deacetylase


(Escherichia coli)
BDBM50483393
PNG
(CHEMBL1668453)
Show SMILES C[C@@H](O)[C@@H](NC(=O)N1CCN(CC1)c1ccc(cc1)C#Cc1ccc(F)cc1)C(=O)NO
Show InChI InChI=1S/C23H25FN4O4/c1-16(29)21(22(30)26-32)25-23(31)28-14-12-27(13-15-28)20-10-6-18(7-11-20)3-2-17-4-8-19(24)9-5-17/h4-11,16,21,29,32H,12-15H2,1H3,(H,25,31)(H,26,30)/t16-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LpxC


Bioorg Med Chem Lett 21: 1155-61 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.111
BindingDB Entry DOI: 10.7270/Q2Q52SFZ
More data for this
Ligand-Target Pair