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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'Peptide deformylase mitochondrial' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 mitochondrial


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Peptide deformylase


Bioorg Med Chem Lett 13: 3273-6 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121445
PNG
((S)-2-Mercaptomethyl-hexanoic acid [(S)-5-amino-1-...)
Show SMILES CCCC[C@H](CS)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H30N4O4S/c1-2-3-6-14(13-28)18(24)22-17(7-4-5-12-20)19(25)21-15-8-10-16(11-9-15)23(26)27/h8-11,14,17,28H,2-7,12-13,20H2,1H3,(H,21,25)(H,22,24)/t14-,17+/m1/s1
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19n/an/an/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Fe of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121442
PNG
(5-Guanidino-2-(2-mercaptomethyl-hexanoylamino)-pen...)
Show SMILES CCCCC(CS)C(=O)NC(CCCNC(N)=N)C(=O)OC
Show InChI InChI=1S/C14H28N4O3S/c1-3-4-6-10(9-22)12(19)18-11(13(20)21-2)7-5-8-17-14(15)16/h10-11,22H,3-9H2,1-2H3,(H,18,19)(H4,15,16,17)
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2.50E+3n/an/an/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121444
PNG
((R)-2-Butyl-N*1*-((S)-1-dimethylcarbamoyl-2,2-dime...)
Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-11(10-12(20)18-23)14(21)17-13(16(2,3)4)15(22)19(5)6/h11,13,23H,7-10H2,1-6H3,(H,17,21)(H,18,20)/t11-,13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against peptide deformylase (PDF)


Bioorg Med Chem Lett 13: 3273-6 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131303
PNG
((S)-2-[(R)-2-Cyclohexylmethyl-3-(formyl-hydroxy-am...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16(18(25)21(4)5)20-17(24)15(12-22(26)13-23)11-14-9-7-6-8-10-14/h13-16,26H,6-12H2,1-5H3,(H,20,24)/t15-,16-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50104501
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50104501
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Antibacterial activity of the compound against E. coli Peptide deformylase. Ni


Bioorg Med Chem Lett 11: 2585-8 (2001)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50104501
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131290
PNG
((S)-2-[(R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-a...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15(17(24)20(4)5)19-16(23)14(11-21(25)12-22)10-13-8-6-7-9-13/h12-15,25H,6-11H2,1-5H3,(H,19,23)/t14-,15-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131292
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-4-methyl-pen...)
Show SMILES CC(C)C[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-11(2)8-12(9-19(23)10-20)14(21)17-13(16(3,4)5)15(22)18(6)7/h10-13,23H,8-9H2,1-7H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Antibacterial activity of the compound against E. coli Peptide deformylase. Ni


Bioorg Med Chem Lett 11: 2585-8 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131304
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic ac...)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-7-8-9-10-13(11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131295
PNG
((S)-2-[(R)-2-Ethylsulfanylmethyl-3-(formyl-hydroxy...)
Show SMILES CCSC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4S/c1-7-23-9-11(8-18(22)10-19)13(20)16-12(15(2,3)4)14(21)17(5)6/h10-12,22H,7-9H2,1-6H3,(H,16,20)/t11-,12+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131301
PNG
((S)-2-[(R)-2-Benzyl-3-(formyl-hydroxy-amino)-propi...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C19H29N3O4/c1-19(2,3)16(18(25)21(4)5)20-17(24)15(12-22(26)13-23)11-14-9-7-6-8-10-14/h6-10,13,15-16,26H,11-12H2,1-5H3,(H,20,24)/t15-,16-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131302
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-5-methyl-hex...)
Show SMILES CC(C)CC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-12(2)8-9-13(10-20(24)11-21)15(22)18-14(17(3,4)5)16(23)19(6)7/h11-14,24H,8-10H2,1-7H3,(H,18,22)/t13-,14-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131307
PNG
((S)-2-[(R)-2-Cyclopentyl-3-(formyl-hydroxy-amino)-...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)C1CCCC1)C(C)(C)C
Show InChI InChI=1S/C17H31N3O4/c1-17(2,3)14(16(23)19(4)5)18-15(22)13(10-20(24)11-21)12-8-6-7-9-12/h11-14,24H,6-10H2,1-5H3,(H,18,22)/t13-,14+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131288
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hex-5-enoic ...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CCC=C)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C16H29N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h7,11-13,23H,1,8-10H2,2-6H3,(H,17,21)/t12-,13-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131291
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-octanoic aci...)
Show SMILES CCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C18H35N3O4/c1-7-8-9-10-11-14(12-21(25)13-22)16(23)19-15(18(2,3)4)17(24)20(5)6/h13-15,25H,7-12H2,1-6H3,(H,19,23)/t14-,15-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131289
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-pent-4-enoic...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@H](CC=C)CN(O)C=O)C(C)(C)C
Show InChI InChI=1S/C15H27N3O4/c1-7-8-11(9-18(22)10-19)13(20)16-12(15(2,3)4)14(21)17(5)6/h7,10-12,22H,1,8-9H2,2-6H3,(H,16,20)/t11-,12-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131296
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hex-4-ynoic ...)
Show SMILES CC#CC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H27N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,9-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131297
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-nonanoic aci...)
Show SMILES CCCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C19H37N3O4/c1-7-8-9-10-11-12-15(13-22(26)14-23)17(24)20-16(19(2,3)4)18(25)21(5)6/h14-16,26H,7-13H2,1-6H3,(H,20,24)/t15-,16-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131306
PNG
((R)-N-((S)-1-Dimethylcarbamoyl-2,2-dimethyl-propyl...)
Show SMILES CC(C)[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-10(2)11(8-18(22)9-19)13(20)16-12(15(3,4)5)14(21)17(6)7/h9-12,22H,8H2,1-7H3,(H,16,20)/t11-,12+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131287
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-decanoic aci...)
Show SMILES CCCCCCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C20H39N3O4/c1-7-8-9-10-11-12-13-16(14-23(27)15-24)18(25)21-17(20(2,3)4)19(26)22(5)6/h15-17,27H,7-14H2,1-6H3,(H,21,25)/t16-,17-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131293
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-pentanoic ac...)
Show SMILES CCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H29N3O4/c1-7-8-11(9-18(22)10-19)13(20)16-12(15(2,3)4)14(21)17(5)6/h10-12,22H,7-9H2,1-6H3,(H,16,20)/t11-,12-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131308
PNG
((S)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50104500
PNG
(2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((...)
Show SMILES CCCCC(CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12?,13-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Antibacterial activity of the compound against E. coli Peptide deformylase. Ni


Bioorg Med Chem Lett 11: 2585-8 (2001)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131299
PNG
((S)-2-{(R)-2-[(Formyl-hydroxy-amino)-methyl]-butyr...)
Show SMILES CC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C14H27N3O4/c1-7-10(8-17(21)9-18)12(19)15-11(14(2,3)4)13(20)16(5)6/h9-11,21H,7-8H2,1-6H3,(H,15,19)/t10-,11-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131305
PNG
((S)-2-[(R)-3-(Formyl-hydroxy-amino)-2-methyl-propi...)
Show SMILES C[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C13H25N3O4/c1-9(7-16(20)8-17)11(18)14-10(13(2,3)4)12(19)15(5)6/h8-10,20H,7H2,1-6H3,(H,14,18)/t9-,10-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121440
PNG
((R)-3-((S)-1-Dimethylcarbamoyl-2,2-dimethyl-propyl...)
Show SMILES CCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H30N2O4/c1-7-8-9-11(10-12(19)20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11,13H,7-10H2,1-6H3,(H,17,21)(H,19,20)/t11-,13-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131286
PNG
((S)-2-[(R)-3-(Formyl-hydroxy-amino)-2-(4-methoxy-b...)
Show SMILES COc1ccc(C[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C20H31N3O5/c1-20(2,3)17(19(26)22(4)5)21-18(25)15(12-23(27)13-24)11-14-7-9-16(28-6)10-8-14/h7-10,13,15,17,27H,11-12H2,1-6H3,(H,21,25)/t15-,17-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121436
PNG
((R)-2-Hydrazinocarbonylmethyl-hexanoic acid ((S)-1...)
Show SMILES CCCC[C@H](CC(=O)NN)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H32N4O3/c1-7-8-9-11(10-12(21)19-17)14(22)18-13(16(2,3)4)15(23)20(5)6/h11,13H,7-10,17H2,1-6H3,(H,18,22)(H,19,21)/t11-,13-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131309
PNG
((S)-2-[(R)-2-(4-Chloro-phenyl)-3-(formyl-hydroxy-a...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C18H26ClN3O4/c1-18(2,3)15(17(25)21(4)5)20-16(24)14(10-22(26)11-23)12-6-8-13(19)9-7-12/h6-9,11,14-15,26H,10H2,1-5H3,(H,20,24)/t14-,15+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131298
PNG
((R)-2-[1-(Formyl-hydroxy-amino)-ethyl]-hexanoic ac...)
Show SMILES CCCC[C@H](C(C)N(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-8-9-10-13(12(2)20(24)11-21)15(22)18-14(17(3,4)5)16(23)19(6)7/h11-14,24H,8-10H2,1-7H3,(H,18,22)/t12?,13-,14-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Centre National de la Recherche Scientifique

Curated by ChEMBL


Assay Description
Inhibition of human mitochondrial PDF


J Med Chem 50: 10-20 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131300
PNG
((R)-2-[2-(Formyl-hydroxy-amino)-ethyl]-hexanoic ac...)
Show SMILES CCCC[C@H](CCN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C17H33N3O4/c1-7-8-9-13(10-11-20(24)12-21)15(22)18-14(17(2,3)4)16(23)19(5)6/h12-14,24H,7-11H2,1-6H3,(H,18,22)/t13-,14-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50131294
PNG
((S)-2-{(R)-2-[(Formyl-hydroxy-amino)-methyl]-3-pip...)
Show SMILES CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN(O)C=O)CN1CCCCC1)C(C)(C)C
Show InChI InChI=1S/C18H34N4O4/c1-18(2,3)15(17(25)20(4)5)19-16(24)14(12-22(26)13-23)11-21-9-7-6-8-10-21/h13-15,26H,6-12H2,1-5H3,(H,19,24)/t14-,15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition against Escherichia coli peptide deformylase


Bioorg Med Chem Lett 13: 2709-13 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121439
PNG
((2R)-2-{[(aminocarbonyl)(hydroxy)amino]methyl}-N-{...)
Show SMILES CCCC[C@H](CN(O)C(N)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H32N4O4/c1-7-8-9-11(10-20(24)15(17)23)13(21)18-12(16(2,3)4)14(22)19(5)6/h11-12,24H,7-10H2,1-6H3,(H2,17,23)(H,18,21)/t11-,12-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121438
PNG
(CHEMBL120291 | [2-((S)-1-Dimethylcarbamoyl-2,2-dim...)
Show SMILES CCCCC(CP(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H31N2O4P/c1-7-8-9-11(10-22(20)21)13(18)16-12(15(2,3)4)14(19)17(5)6/h11-12,22H,7-10H2,1-6H3,(H,16,18)(H,20,21)/t11?,12-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121437
PNG
(CHEMBL422076 | [(S)-1-((S)-1-Dimethylcarbamoyl-2,2...)
Show SMILES CCCC[C@H](NCC(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-11(17-10-12(20)21)14(22)18-13(16(2,3)4)15(23)19(5)6/h11,13,17H,7-10H2,1-6H3,(H,18,22)(H,20,21)/t11-,13+/m0/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121443
PNG
(CHEMBL120357 | [2-((S)-1-Dimethylcarbamoyl-2,2-dim...)
Show SMILES CCCCC(CP(O)(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C15H31N2O5P/c1-7-8-9-11(10-23(20,21)22)13(18)16-12(15(2,3)4)14(19)17(5)6/h11-12H,7-10H2,1-6H3,(H,16,18)(H2,20,21,22)/t11?,12-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121441
PNG
((R)-2-(N-Hydroxycarbamimidoylmethyl)-hexanoic acid...)
Show SMILES CCCCC(CC(=N)NO)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H32N4O3/c1-7-8-9-11(10-12(17)19-23)14(21)18-13(16(2,3)4)15(22)20(5)6/h11,13,23H,7-10H2,1-6H3,(H2,17,19)(H,18,21)/t11?,13-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50121446
PNG
((R)-2-Formylaminomethyl-hexanoic acid ((S)-1-dimet...)
Show SMILES CCCC[C@H](CNC=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
Show InChI InChI=1S/C16H31N3O3/c1-7-8-9-12(10-17-11-20)14(21)18-13(16(2,3)4)15(22)19(5)6/h11-13H,7-10H2,1-6H3,(H,17,20)(H,18,21)/t12-,13-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli


Bioorg Med Chem Lett 12: 3595-9 (2002)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50132676
PNG
(2-[3-Butyl-3H-benzothiazol-(2Z)-ylidene]-N-hydroxy...)
Show SMILES CCCCN1\C(Sc2ccccc12)=C\C(=O)NO
Show InChI InChI=1S/C13H16N2O2S/c1-2-3-8-15-10-6-4-5-7-11(10)18-13(15)9-12(16)14-17/h4-7,9,17H,2-3,8H2,1H3,(H,14,16)/b13-9-
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n/an/a 1.04E+3n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against peptide deformylase (PDF)


Bioorg Med Chem Lett 13: 3273-6 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50089194
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)
Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay


Bioorg Med Chem Lett 21: 4528-32 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50349088
PNG
(CHEMBL1808001)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1coc2c1C(=O)C(=O)C(Br)=C2Br
Show InChI InChI=1S/C18H12Br2O7/c1-24-9-4-7(5-10(25-2)17(9)26-3)14(21)8-6-27-18-11(8)15(22)16(23)12(19)13(18)20/h4-6H,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay


Bioorg Med Chem Lett 21: 4528-32 (2011)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50349084
PNG
(CHEMBL1807952)
Show SMILES COc1ccc(cc1OC)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl
Show InChI InChI=1S/C17H10Cl2O6/c1-23-9-4-3-7(5-10(9)24-2)14(20)8-6-25-17-11(8)15(21)16(22)12(18)13(17)19/h3-6H,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay


Bioorg Med Chem Lett 21: 4528-32 (2011)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50132672
PNG
(CHEMBL419929 | N-Hydroxy-2-[3-propyl-3H-benzothiaz...)
Show SMILES CCCN1\C(Sc2ccccc12)=C\C(=O)NO
Show InChI InChI=1S/C12H14N2O2S/c1-2-7-14-9-5-3-4-6-10(9)17-12(14)8-11(15)13-16/h3-6,8,16H,2,7H2,1H3,(H,13,15)/b12-8-
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n/an/a 8.39E+3n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against peptide deformylase (PDF)


Bioorg Med Chem Lett 13: 3273-6 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50132675
PNG
(CHEMBL331367 | N-Hydroxy-2-[3-pentyl-3H-benzothiaz...)
Show SMILES CCCCCN1\C(Sc2ccccc12)=C\C(=O)NO
Show InChI InChI=1S/C14H18N2O2S/c1-2-3-6-9-16-11-7-4-5-8-12(11)19-14(16)10-13(17)15-18/h4-5,7-8,10,18H,2-3,6,9H2,1H3,(H,15,17)/b14-10-
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n/an/a 9.91E+3n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against peptide deformylase (PDF)


Bioorg Med Chem Lett 13: 3273-6 (2003)

More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens)
BDBM50349087
PNG
(CHEMBL1807999)
Show SMILES COc1ccc(cc1OC)C(=O)c1coc2c1C(=O)C(=O)C(Br)=C2Br
Show InChI InChI=1S/C17H10Br2O6/c1-23-9-4-3-7(5-10(9)24-2)14(20)8-6-25-17-11(8)15(21)16(22)12(18)13(17)19/h3-6H,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay


Bioorg Med Chem Lett 21: 4528-32 (2011)

More data for this
Ligand-Target Pair
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