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BDBM50079773 CHEMBL3414787

SMILES: COc1ccc(cc1)[C@H](NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(OC)cc1)C(O)=O

InChI Key: InChIKey=FXOPHYMTZNLCBI-LGWFVXIRNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079773   
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)
BDBM50079773
PNG
(CHEMBL3414787)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(OC)cc1)C(O)=O |r|
Show InChI InChI=1/C22H20N2O7S/c1-30-14-7-3-12(4-8-14)17-11-16(19(32-17)21(27)28)23-22(29)24-18(20(25)26)13-5-9-15(31-2)10-6-13/h3-11,18H,1-2H3,(H,25,26)(H,27,28)(H2,23,24,29)/t18-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.13E+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