Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thioesterase PqsE (PqsE)'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Quinolone signal response protein (Pseudomonas aeruginosa PAO1)	BDBM185153 (CC41801 (1)) Show SMILES OC(=O)c1ccccc1-c1cccnc1 Show InChI InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	14
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)					Assay Description ITC titrations were performed using an ITC200 instrument (Microcal Inc.,Malvern). DMSO stock solutions (20 mM) of fragments were diluted 1:20 (v/v) i...				ACS Chem Biol 11: 1755-63 (2016) Article DOI: 10.1021/acschembio.6b00156 BindingDB Entry DOI: 10.7270/Q25T3J8S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Quinolone signal response protein (Pseudomonas aeruginosa PAO1)	BDBM185154 (AC30341 (3)) Show SMILES Cc1ccsc1C(O)=O Show InChI InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	14
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)					Assay Description ITC titrations were performed using an ITC200 instrument (Microcal Inc.,Malvern). DMSO stock solutions (20 mM) of fragments were diluted 1:20 (v/v) i...				ACS Chem Biol 11: 1755-63 (2016) Article DOI: 10.1021/acschembio.6b00156 BindingDB Entry DOI: 10.7270/Q25T3J8S
					More data for this Ligand-Target Pair				3D Structure (crystal)