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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50079651   
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)		BDBM50079651
PNG
(CHEMBL3414806)
Show SMILES OC(c1ccc(cc1)-c1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O)c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C34H27N3O8S/c38-30(25-8-4-5-9-28(25)37(44)45)24-16-12-22(13-17-24)21-10-14-23(15-11-21)29-19-26(31(46-29)33(41)42)35-34(43)36-27(32(39)40)18-20-6-2-1-3-7-20/h1-17,19,27,30,38H,18H2,(H,39,40)(H,41,42)(H2,35,36,43)/t27-,30?/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 360n/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