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BDBM50395902 CHEMBL2164187

SMILES: COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)no2)c(F)c1

InChI Key: InChIKey=JAZICKKQBWPPLG-MRXNPFEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50395902   
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)
BDBM50395902
PNG
(CHEMBL2164187)
Show SMILES COc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)no2)c(F)c1 |r|
Show InChI InChI=1S/C16H19FN2O6S/c1-16(15(20)18-21,26(3,22)23)7-6-10-8-14(25-19-10)12-5-4-11(24-2)9-13(12)17/h4-5,8-9,21H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.32n/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