new BindingDB logo
myBDB logout

BDBM50395918 CHEMBL2164514

SMILES: C[C@@](CCc1cc(no1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O

InChI Key: InChIKey=ROEVKJVBBBDZBY-OAHLLOKOSA-N

Data: 1 IC50

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 = 50395918   
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)
BDBM50395918
PNG
(CHEMBL2164514)
Show SMILES C[C@@](CCc1cc(no1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C15H18N2O5S/c1-15(14(18)16-19,23(2,20)21)9-8-12-10-13(17-22-12)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18)/t15-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.02n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LpxC


Bioorg Med Chem Lett 22: 6832-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.058
BindingDB Entry DOI: 10.7270/Q2GF0VMV
More data for this
Ligand-Target Pair