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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50006464   
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
Fe(3+)-pyochelin receptor


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50444965
PNG
(CHEMBL3099904)
Show SMILES CN1[C@H](SC[C@H]1C(O)=O)[C@H]1CSC(=N1)c1ccccc1O |r,c:13|
Show InChI InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



UMR 7242 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP


Bioorg Med Chem Lett 24: 132-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.054
BindingDB Entry DOI: 10.7270/Q2J38V1F
More data for this
Ligand-Target Pair
Fe(3+)-pyochelin receptor


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50444963
PNG
(CHEMBL3099907)
Show SMILES CN1[C@@H](CSC1c1csc(n1)-c1ccc(O)cc1O)C(O)=O |r|
Show InChI InChI=1S/C14H14N2O4S2/c1-16-10(14(19)20)6-22-13(16)9-5-21-12(15-9)8-3-2-7(17)4-11(8)18/h2-5,10,13,17-18H,6H2,1H3,(H,19,20)/t10-,13?/m0/s1
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6.5n/an/an/an/an/an/an/an/a



UMR 7242 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP


Bioorg Med Chem Lett 24: 132-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.054
BindingDB Entry DOI: 10.7270/Q2J38V1F
More data for this
Ligand-Target Pair
Fe(3+)-pyochelin receptor


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50444964
PNG
(CHEMBL3099905)
Show SMILES CN1[C@@H](CS[C@@H]1c1csc(n1)-c1ccccc1O)C(O)=O |r|
Show InChI InChI=1S/C14H14N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-6,10,13,17H,7H2,1H3,(H,18,19)/t10-,13+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



UMR 7242 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP


Bioorg Med Chem Lett 24: 132-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.054
BindingDB Entry DOI: 10.7270/Q2J38V1F
More data for this
Ligand-Target Pair
Fe(3+)-pyochelin receptor


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50444962
PNG
(CHEMBL3099909)
Show SMILES CN1[C@@H](CSC1c1csc(n1)-c1ccc(N)cc1O)C(O)=O |r|
Show InChI InChI=1S/C14H15N3O3S2/c1-17-10(14(19)20)6-22-13(17)9-5-21-12(16-9)8-3-2-7(15)4-11(8)18/h2-5,10,13,18H,6,15H2,1H3,(H,19,20)/t10-,13?/m0/s1
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11n/an/an/an/an/an/an/an/a



UMR 7242 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP


Bioorg Med Chem Lett 24: 132-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.054
BindingDB Entry DOI: 10.7270/Q2J38V1F
More data for this
Ligand-Target Pair
Fe(3+)-pyochelin receptor


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50444961
PNG
(CHEMBL3099911)
Show SMILES COc1ccc(N)cc1-c1nc(cs1)C1SC[C@H](N1C)C(O)=O |r|
Show InChI InChI=1S/C15H17N3O3S2/c1-18-11(15(19)20)7-23-14(18)10-6-22-13(17-10)9-5-8(16)3-4-12(9)21-2/h3-6,11,14H,7,16H2,1-2H3,(H,19,20)/t11-,14?/m0/s1
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460n/an/an/an/an/an/an/an/a



UMR 7242 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP


Bioorg Med Chem Lett 24: 132-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.054
BindingDB Entry DOI: 10.7270/Q2J38V1F
More data for this
Ligand-Target Pair
Fe(3+)-pyochelin receptor


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50444960
PNG
(CHEMBL3099912)
Show SMILES COc1ccc(F)cc1-c1nc(cs1)C1SC[C@H](N1C)C(O)=O |r|
Show InChI InChI=1S/C15H15FN2O3S2/c1-18-11(15(19)20)7-23-14(18)10-6-22-13(17-10)9-5-8(16)3-4-12(9)21-2/h3-6,11,14H,7H2,1-2H3,(H,19,20)/t11-,14?/m0/s1
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PubMed
1.44E+3n/an/an/an/an/an/an/an/a



UMR 7242 CNRS-Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP


Bioorg Med Chem Lett 24: 132-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.054
BindingDB Entry DOI: 10.7270/Q2J38V1F
More data for this
Ligand-Target Pair