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PubMed code 21146987

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334431
PNG
(CHEMBL1643873 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1nccc2ccccc12)C(C)C |r|
Show InChI InChI=1S/C22H29N3O4/c1-4-5-8-17(13-25(29)14-26)21(27)19(15(2)3)24-22(28)20-18-10-7-6-9-16(18)11-12-23-20/h6-7,9-12,14-15,17,19,29H,4-5,8,13H2,1-3H3,(H,24,28)/t17-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334430
PNG
(CHEMBL1643872 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C |r|
Show InChI InChI=1S/C22H29N3O4/c1-4-5-8-17(13-25(29)14-26)21(27)20(15(2)3)24-22(28)19-12-11-16-9-6-7-10-18(16)23-19/h6-7,9-12,14-15,17,20,29H,4-5,8,13H2,1-3H3,(H,24,28)/t17-,20+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334433
PNG
(CHEMBL1643875 | N-((2R,4S)-2-butyl-4-(3-cyclopenty...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)NC1CCCC1)C(C)C |r|
Show InChI InChI=1S/C18H33N3O4/c1-4-5-8-14(11-21(25)12-22)17(23)16(13(2)3)20-18(24)19-15-9-6-7-10-15/h12-16,25H,4-11H2,1-3H3,(H2,19,20,24)/t14-,16+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334432
PNG
(CHEMBL1643874 | N-((2R,4S)-2-butyl-4-(3-isopropylu...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)NC(C)C)C(C)C |r|
Show InChI InChI=1S/C16H31N3O4/c1-6-7-8-13(9-19(23)10-20)15(21)14(11(2)3)18-16(22)17-12(4)5/h10-14,23H,6-9H2,1-5H3,(H2,17,18,22)/t13-,14+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334426
PNG
(CHEMBL1643868 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C |r|
Show InChI InChI=1S/C20H30N2O5/c1-5-6-8-16(12-22(26)13-23)19(24)18(14(2)3)21-20(25)15-9-7-10-17(11-15)27-4/h7,9-11,13-14,16,18,26H,5-6,8,12H2,1-4H3,(H,21,25)/t16-,18+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334418
PNG
((R)-N-(cyclopentylmethyl)-N-(2-(hydroxyamino)-2-ox...)
Show SMILES COc1ccccc1NC(=O)N[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C22H34N4O5/c1-22(2,3)19(24-21(29)23-16-11-7-8-12-17(16)31-4)20(28)26(14-18(27)25-30)13-15-9-5-6-10-15/h7-8,11-12,15,19,30H,5-6,9-10,13-14H2,1-4H3,(H,25,27)(H2,23,24,29)/t19-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334436
PNG
(CHEMBL1643878 | N-((2R,4S)-2-butyl-4-(3-(2-fluorop...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C |r|
Show InChI InChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334435
PNG
(CHEMBL1643877 | N-((2R,4S)-2-butyl-4-(3-(2-methoxy...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1OC)C(C)C |r|
Show InChI InChI=1S/C20H31N3O5/c1-5-6-9-15(12-23(27)13-24)19(25)18(14(2)3)22-20(26)21-16-10-7-8-11-17(16)28-4/h7-8,10-11,13-15,18,27H,5-6,9,12H2,1-4H3,(H2,21,22,26)/t15-,18+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334427
PNG
(3-fluoro-N-((3S,5R)-5-((N-hydroxyformamido)methyl)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccc(F)c1)C(C)C |r|
Show InChI InChI=1S/C19H27FN2O4/c1-4-5-7-15(11-22(26)12-23)18(24)17(13(2)3)21-19(25)14-8-6-9-16(20)10-14/h6,8-10,12-13,15,17,26H,4-5,7,11H2,1-3H3,(H,21,25)/t15-,17+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334437
PNG
(CHEMBL1643879 | N-((2R,4S)-2-butyl-5-methyl-3-oxo-...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccn1)C(C)C |r|
Show InChI InChI=1S/C18H28N4O4/c1-4-5-8-14(11-22(26)12-23)17(24)16(13(2)3)21-18(25)20-15-9-6-7-10-19-15/h6-7,9-10,12-14,16,26H,4-5,8,11H2,1-3H3,(H2,19,20,21,25)/t14-,16+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334434
PNG
(CHEMBL1643876 | N-((2R,4S)-2-butyl-5-methyl-3-oxo-...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C19H29N3O4/c1-4-5-9-15(12-22(26)13-23)18(24)17(14(2)3)21-19(25)20-16-10-7-6-8-11-16/h6-8,10-11,13-15,17,26H,4-5,9,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334424
PNG
(CHEMBL1643865 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C19H28N2O4/c1-4-5-9-16(12-21(25)13-22)18(23)17(14(2)3)20-19(24)15-10-7-6-8-11-15/h6-8,10-11,13-14,16-17,25H,4-5,9,12H2,1-3H3,(H,20,24)/t16-,17+/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334429
PNG
(CHEMBL1643871 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)C |r|
Show InChI InChI=1S/C18H27N3O4/c1-4-5-6-15(11-21(25)12-22)17(23)16(13(2)3)20-18(24)14-7-9-19-10-8-14/h7-10,12-13,15-16,25H,4-6,11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334423
PNG
(CHEMBL1643866 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)C(C)C)C(C)C |r|
Show InChI InChI=1S/C16H30N2O4/c1-6-7-8-13(9-18(22)10-19)15(20)14(11(2)3)17-16(21)12(4)5/h10-14,22H,6-9H2,1-5H3,(H,17,21)/t13-,14+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334428
PNG
(CHEMBL1643870 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1cccnc1)C(C)C |r|
Show InChI InChI=1S/C18H27N3O4/c1-4-5-7-15(11-21(25)12-22)17(23)16(13(2)3)20-18(24)14-8-6-9-19-10-14/h6,8-10,12-13,15-16,25H,4-5,7,11H2,1-3H3,(H,20,24)/t15-,16+/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334425
PNG
(CHEMBL1643867 | N-((3S,5R)-5-((N-hydroxyformamido)...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)c1ccccn1)C(C)C |r|
Show InChI InChI=1S/C18H27N3O4/c1-4-5-8-14(11-21(25)12-22)17(23)16(13(2)3)20-18(24)15-9-6-7-10-19-15/h6-7,9-10,12-14,16,25H,4-5,8,11H2,1-3H3,(H,20,24)/t14-,16+/m1/s1
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n/an/a 117n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334422
PNG
((S)-tert-butyl 2-((R)-2-((N-hydroxyformamido)methy...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C17H30N2O5/c1-5-6-8-13(11-18(23)12-20)15(21)14-9-7-10-19(14)16(22)24-17(2,3)4/h12-14,23H,5-11H2,1-4H3/t13-,14+/m1/s1
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n/an/a 169n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334420
PNG
(CHEMBL1643862 | tert-butyl(3S,5R)-5-((N-hydroxyfor...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C17H32N2O5/c1-7-8-9-13(10-19(23)11-20)15(21)14(12(2)3)18-16(22)24-17(4,5)6/h11-14,23H,7-10H2,1-6H3,(H,18,22)/t13-,14+/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334419
PNG
(CHEMBL1643863 | tert-butyl(2S,4R)-4-((N-hydroxyfor...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@H](C)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C15H28N2O5/c1-6-7-8-12(9-17(21)10-18)13(19)11(2)16-14(20)22-15(3,4)5/h10-12,21H,6-9H2,1-5H3,(H,16,20)/t11-,12+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
Peptide deformylase


(Pseudomonas aeruginosa)		BDBM50334421
PNG
(CHEMBL1643861 | tert-butyl(3R,5R)-5-((N-hydroxyfor...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C18H34N2O5/c1-8-9-10-13(11-20(24)12-21)14(22)15(17(2,3)4)19-16(23)25-18(5,6)7/h12-13,15,24H,8-11H2,1-7H3,(H,19,23)/t13-,15+/m1/s1
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 603n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay

Bioorg Med Chem Lett 21: 133-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.056
BindingDB Entry DOI: 10.7270/Q28052V1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%