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BDBM50079656 CHEMBL3414804

SMILES: OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=UNWFIVOFBXHJBY-ANBDAQEENA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079656   
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)
BDBM50079656
PNG
(CHEMBL3414804)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C27H22N2O5S/c30-25(31)22(15-17-7-3-1-4-8-17)29-27(34)28-21-16-23(35-24(21)26(32)33)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,16,22H,15H2,(H,30,31)(H,32,33)(H2,28,29,34)/t22-/s2
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/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)

More data for this
Ligand-Target Pair