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BDBM50079651 CHEMBL3414806

SMILES: OC(c1ccc(cc1)-c1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=XSOMANPBJVKCHV-OWMFNTPFNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079651   
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)
BDBM50079651
PNG
(CHEMBL3414806)
Show SMILES OC(c1ccc(cc1)-c1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1/C34H27N3O8S/c38-30(25-8-4-5-9-28(25)37(44)45)24-16-12-22(13-17-24)21-10-14-23(15-11-21)29-19-26(31(46-29)33(41)42)35-34(43)36-27(32(39)40)18-20-6-2-1-3-7-20/h1-17,19,27,30,38H,18H2,(H,39,40)(H,41,42)(H2,35,36,43)/t27-,30?/s2
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PC sid
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Article
PubMed
n/an/a 360n/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