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BDBM50079712 CHEMBL3414795

SMILES: COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](CCC(O)=O)C(O)=O)c(s1)C(O)=O

InChI Key: InChIKey=MGGJNGLZBDSWAA-LDGXTIHJNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079712   
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
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50079712
PNG
(CHEMBL3414795)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](CCC(O)=O)C(O)=O)c(s1)C(O)=O |r|
Show InChI InChI=1/C18H18N2O8S/c1-28-10-4-2-9(3-5-10)13-8-12(15(29-13)17(25)26)20-18(27)19-11(16(23)24)6-7-14(21)22/h2-5,8,11H,6-7H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H2,19,20,27)/t11-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.03E+4n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in Escherichia coli BL21 (deltaDE3) using anthraniloyl-CoA/beta-ketodecan...


Eur J Med Chem 96: 14-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.007
More data for this
Ligand-Target Pair