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BDBM50079788 CHEMBL3414786

SMILES: COc1ccc(cc1)-c1cc(NC(=O)N[C@H](C(O)=O)c2ccc(O)cc2)c(s1)C(O)=O

InChI Key: InChIKey=QDJPZXKTPYTUQX-AGDOHHJYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079788   
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)
BDBM50079788
PNG
(CHEMBL3414786)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@H](C(O)=O)c2ccc(O)cc2)c(s1)C(O)=O
Show InChI InChI=1/C21H18N2O7S/c1-30-14-8-4-11(5-9-14)16-10-15(18(31-16)20(27)28)22-21(29)23-17(19(25)26)12-2-6-13(24)7-3-12/h2-10,17,24H,1H3,(H,25,26)(H,27,28)(H2,22,23,29)/t17-/s2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.90E+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