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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxoacyl-ACP synthase' and Ligand = 'BDBM50079706'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
3-oxoacyl-ACP synthase


(Pseudomonas aeruginosa)		BDBM50079706
PNG
(CHEMBL3414799)
Show SMILES COc1ccc(-c2cc(NC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(s2)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C23H22N2O6S/c1-13-10-15(31-2)8-9-16(13)19-12-17(20(32-19)22(28)29)24-23(30)25-18(21(26)27)11-14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3,(H,26,27)(H,28,29)(H2,24,25,30)/t18-/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.50E+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)


Article DOI: 10.1016/j.ejmech.2015.04.007
BindingDB Entry DOI: 10.7270/Q2ZS2Z7Q
More data for this
Ligand-Target Pair