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There are 8 purchasable compounds for target: PA8380_44470

Wt: 182.1
BDBM41957
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Wt: 194.1
BDBM50029209
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Wt: 182.1
BDBM50062147
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Wt: 210.2
BDBM50062149
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Wt: 229.2
BDBM50079636
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Wt: 153.1
BDBM50079637
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Wt: 272.2
BDBM50061996
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Wt: 196.1
BDBM50062150
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 41957,50029209,50062147,50062149,50079636,50079637,50061996,50062150   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50061996
PNG
(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
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50062147
PNG
(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
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50062149
PNG
(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
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50079637
PNG
(CHEMBL369485)
Show SMILES OCc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM41957
PNG
(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)
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KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50029209
PNG
((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+
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50079636
PNG
(CHEMBL2413670)
Show SMILES OC(c1ccccc1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50062150
PNG
(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

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair