Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50045424   

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
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50061996 (CHEMBL3397068) Show SMILES Oc1ccc(CCC(=O)OCc2ccccc2)cc1O Show InChI InChI=1S/C16H16O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-6,8,10,17-18H,7,9,11H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50062146 (CHEMBL3397065) Show SMILES COC(=O)CCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C11H14O4/c1-15-11(14)4-2-3-8-5-6-9(12)10(13)7-8/h5-7,12-13H,2-4H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50062148 (CHEMBL3289683) Show SMILES CC(C)OC(=O)CCc1ccc(O)c(O)c1 Show InChI InChI=1S/C12H16O4/c1-8(2)16-12(15)6-4-9-3-5-10(13)11(14)7-9/h3,5,7-8,13-14H,4,6H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50062149 (CHEMBL3093471) Show SMILES CCOC(=O)CCc1ccc(O)c(O)c1 Show InChI InChI=1S/C11H14O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3,5,7,12-13H,2,4,6H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50062007 (CHEMBL3397067) Show SMILES CNC(=O)CCc1ccc(O)c(O)c1 Show InChI InChI=1S/C10H13NO3/c1-11-10(14)5-3-7-2-4-8(12)9(13)6-7/h2,4,6,12-13H,3,5H2,1H3,(H,11,14)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50062147 (CHEMBL3120494) Show SMILES COC(=O)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50062150 (CHEMBL3093470) Show SMILES COC(=O)CCc1ccc(O)c(O)c1 Show InChI InChI=1S/C10H12O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6,11-12H,3,5H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM41957 (3-(3,4-dihydroxyphenyl)propanoic acid | 3-(3,4-dih...) Show SMILES OC(=O)CCc1ccc(O)c(O)c1 Show InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair
3-oxoacyl-ACP synthase (Pseudomonas aeruginosa)	BDBM50029209 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl e...) Show SMILES COC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...				Eur J Med Chem 90: 351-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.055 BindingDB Entry DOI: 10.7270/Q20G3MV7
					More data for this Ligand-Target Pair