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Compile Data Set for Download or QSAR

Found 30 hits of ki data for polymerid = 2181,2182,2183,2184,50000051,50000642,50004664,50006058   
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92766
PNG
(PDF inhibitor, compound 8)
Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO
Show InChI InChI=1S/C26H31ClN8O3S/c1-18-6-2-4-8-21(18)28-24-29-25(34-12-10-33(11-13-34)22-9-5-3-7-20(22)27)31-26(30-24)35-17-39-16-19(35)14-38-15-23(36)32-37/h2-9,19,37H,10-17H2,1H3,(H,32,36)(H,28,29,30,31)/t19-/m1/s1
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53.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92761
PNG
(PDF inhibitor, compound 3)
Show SMILES CNC(=O)[C@@H]1CSCN1c1nc(Nc2c(C)cccc2C(=O)NC)nc(n1)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C27H32ClN9O2S/c1-17-7-6-8-18(23(38)29-2)22(17)31-25-32-26(34-27(33-25)37-16-40-15-21(37)24(39)30-3)36-13-11-35(12-14-36)20-10-5-4-9-19(20)28/h4-10,21H,11-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,32,33,34)/t21-/m0/s1
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117n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

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


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92764
PNG
(PDF inhibitor, compound 6)
Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO
Show InChI InChI=1S/C28H34ClN9O4S/c1-18-6-5-7-20(25(40)30-2)24(18)31-26-32-27(37-12-10-36(11-13-37)22-9-4-3-8-21(22)29)34-28(33-26)38-17-43-16-19(38)14-42-15-23(39)35-41/h3-9,19,41H,10-17H2,1-2H3,(H,30,40)(H,35,39)(H,31,32,33,34)/t19-/m1/s1
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213n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92760
PNG
(PDF inhibitor, compound 2)
Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO
Show InChI InChI=1S/C28H33ClN10O4S/c1-17-6-5-7-18(24(41)30-2)23(17)32-26-33-27(38-12-10-37(11-13-38)20-9-4-3-8-19(20)29)35-28(34-26)39-16-44-15-21(39)25(42)31-14-22(40)36-43/h3-9,21,43H,10-16H2,1-2H3,(H,30,41)(H,31,42)(H,36,40)(H,32,33,34,35)/t21-/m0/s1
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334n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

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


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92765
PNG
(PDF inhibitor, compound 7)
Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO
Show InChI InChI=1S/C26H30ClN9O3S/c1-17-6-2-4-8-19(17)29-24-30-25(35-12-10-34(11-13-35)20-9-5-3-7-18(20)27)32-26(31-24)36-16-40-15-21(36)23(38)28-14-22(37)33-39/h2-9,21,39H,10-16H2,1H3,(H,28,38)(H,33,37)(H,29,30,31,32)/t21-/m0/s1
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650n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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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)

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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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)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92759
PNG
(PDF inhibitor, compound 1)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(8-22(25)9-23)12(24)20-21-13-18-7-6-11(19-13)14(15,16)17/h6-7,9-10,25H,2-5,8H2,1H3,(H,20,24)(H,18,19,21)/t10-/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92762
PNG
(PDF inhibitor, compound 4)
Show SMILES OC(CCNC(=O)c1cccc(Cl)c1Cl)C=O
Show InChI InChI=1S/C11H11Cl2NO3/c12-9-3-1-2-8(10(9)13)11(17)14-5-4-7(16)6-15/h1-3,6-7,16H,4-5H2,(H,14,17)
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2.59E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)
BDBM92763
PNG
(PDF inhibitor, compound 5)
Show SMILES ON(CCOc1cccc(Cl)c1Cl)C=O
Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-3-8(9(7)11)15-5-4-12(14)6-13/h1-3,6,14H,4-5H2
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3.17E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)

More data for this
Ligand-Target Pair
Peptide Deformylase


(Escherichia coli (strain K12))
BDBM50291695
PNG
(CHEMBL84822 | H-PHOSPHONATE DERIVATIVE)
Show SMILES CCCC[C@H](OP(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H28N3O7P/c1-4-5-6-16(28-29(26)27)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16,29H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H,26,27)/t15-,16-/m0/s1
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3.70E+4n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Peptide deformylase


Citation and Details
More data for this
Ligand-Target Pair
Peptide Deformylase


(Escherichia coli (strain K12))
BDBM50071663
PNG
(CHEMBL309477 | H-PHOSPHONATE DERIVATIVE)
Show SMILES CCCCC(O[PH+](O)[O-])C(=O)NC(CC(C)C)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H28N3O7P/c1-4-5-6-16(28-29(26)27)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16,26,29H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)
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1.25E+5n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Peptide deformylase


Citation and Details
More data for this
Ligand-Target Pair