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BDBM50079711 CHEMBL3414796

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

InChI Key: InChIKey=QJVVWDMOTQLOFS-XISACWJONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079711   
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)
BDBM50079711
PNG
(CHEMBL3414796)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1/C21H18N2O6S/c24-14-8-6-13(7-9-14)17-11-15(18(30-17)20(27)28)22-21(29)23-16(19(25)26)10-12-4-2-1-3-5-12/h1-9,11,16,24H,10H2,(H,25,26)(H,27,28)(H2,22,23,29)/t16-/s2
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.16E+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)

More data for this
Ligand-Target Pair