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BDBM50079748 CHEMBL3414793

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

InChI Key: InChIKey=GFMWPELIMBBMFB-LDGXTIHJNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079748   
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)
BDBM50079748
PNG
(CHEMBL3414793)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](CC(N)=O)C(O)=O)c(s1)C(O)=O
Show InChI InChI=1/C17H17N3O7S/c1-27-9-4-2-8(3-5-9)12-6-10(14(28-12)16(24)25)19-17(26)20-11(15(22)23)7-13(18)21/h2-6,11H,7H2,1H3,(H2,18,21)(H,22,23)(H,24,25)(H2,19,20,26)/t11-/s2
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.32E+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