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Compile Data Set for Download or QSAR

Found 21 hits of ki data for polymerid = 50000051   
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
Peptide deformylase


(Escherichia coli)
BDBM50153088
PNG
(CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153085
PNG
(CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153083
PNG
(CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50131892
PNG
(CHEMBL421252 | N-(3-tert-Butyl-2,5-dioxo-1,4diaza-...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)C(CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15?,16-/m1/s1
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0.670n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity against Co(II)-substituted E. coli peptide deformylase was determined


J Med Chem 46: 3771-4 (2003)


Article DOI: 10.1021/jm034113f
BindingDB Entry DOI: 10.7270/Q2765DQ4
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153086
PNG
(CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1
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3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
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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11n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Escherichia coli)
BDBM50153084
PNG
(CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...)
Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1
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12n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153087
PNG
(CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O
Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1
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13.7n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153080
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H32N4O4/c1-2-3-9-16(14-24(28)15-25)19(26)23-18(12-7-8-13-21)20(27)22-17-10-5-4-6-11-17/h4-6,10-11,15-16,18,28H,2-3,7-9,12-14,21H2,1H3,(H,22,27)(H,23,26)/t16-,18+/m1/s1
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23n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153081
PNG
(CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1
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25n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153079
PNG
(CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1
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36n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50535516
PNG
(CHEMBL4542964)
Show SMILES CCC(=O)[C@@H](NC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC(C)C)CC(O)=O)C(C)C |r|
Show InChI InChI=1S/C20H35N3O5/c1-6-16(24)18(13(4)5)22-19(27)15-8-7-9-21-23(15)20(28)14(10-12(2)3)11-17(25)26/h12-15,18,21H,6-11H2,1-5H3,(H,22,27)(H,25,26)/t14-,15+,18+/m1/s1
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60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli PDF


Bioorg Med Chem Lett 29: 2410-2414 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.028
BindingDB Entry DOI: 10.7270/Q2FF3WV7
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153087
PNG
(CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O
Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1
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63n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153082
PNG
((R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic ac...)
Show SMILES CCCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCC)CN(O)C=O
Show InChI InChI=1S/C21H42N4O4/c1-3-5-7-11-15-23-21(28)19(13-9-10-14-22)24-20(27)18(12-8-6-4-2)16-25(29)17-26/h17-19,29H,3-16,22H2,1-2H3,(H,23,28)(H,24,27)/t18-,19+/m1/s1
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74n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153088
PNG
(CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1
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77n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153086
PNG
(CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1
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92n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153085
PNG
(CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O
Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1
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96n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153083
PNG
(CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1
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109n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153079
PNG
(CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...)
Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1
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258n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153084
PNG
(CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...)
Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O
Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
710n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50153081
PNG
(CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...)
Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay


J Med Chem 47: 4941-9 (2004)


Article DOI: 10.1021/jm049592c
BindingDB Entry DOI: 10.7270/Q2WD401S
More data for this
Ligand-Target Pair