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BDBM50079710 CHEMBL3414797

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

InChI Key: InChIKey=NACACQUUNGYMIF-XISACWJONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079710   
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)
BDBM50079710
PNG
(CHEMBL3414797)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1/C21H18N2O5S/c24-19(25)16(11-13-7-3-1-4-8-13)23-21(28)22-15-12-17(29-18(15)20(26)27)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t16-/s2
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PC sid
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Similars

Article
PubMed
n/an/a 3.80E+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