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BDBM50079658 CHEMBL3414802

SMILES: OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=MFGKWRFPCVQFPI-ANBDAQEENA-N

Data: 1 IC50

PDB links: 13 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079658   
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)
BDBM50079658
PNG
(CHEMBL3414802)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1/C27H22N2O5S/c30-25(31)22(14-17-8-3-1-4-9-17)29-27(34)28-21-16-23(35-24(21)26(32)33)20-13-7-12-19(15-20)18-10-5-2-6-11-18/h1-13,15-16,22H,14H2,(H,30,31)(H,32,33)(H2,28,29,34)/t22-/s2
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PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/a 6.20E+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