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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50079769   
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)		BDBM50079769
PNG
(CHEMBL3414791)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](C(C)C)C(O)=O)c(s1)C(O)=O |r|
Show InChI InChI=1S/C18H20N2O6S/c1-9(2)14(16(21)22)20-18(25)19-12-8-13(27-15(12)17(23)24)10-4-6-11(26-3)7-5-10/h4-9,14H,1-3H3,(H,21,22)(H,23,24)(H2,19,20,25)/t14-/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.19E+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)


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