BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 540 hits Enz. Inhib. hit(s) with Target = 'Peptide deformylase'   
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


(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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens (Human))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
PubMed
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


(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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

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

Patents

PDB
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens (Human))
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


(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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
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

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
53.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
117n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
213n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
334n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
650n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
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

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
More data for this
Ligand-Target Pair
Peptide deformylase mitochondrial


(Homo sapiens (Human))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


(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 |r|
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.59E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.17E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Binding assay using PDF inhibitors.


Biochemistry 50: 6642-54 (2011)


Article DOI: 10.1021/bi200655g
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


Bioorg Med Chem Lett 8: 2479-82 (1999)

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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


Bioorg Med Chem Lett 8: 2479-82 (1999)

More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383996
PNG
(CHEMBL2032134)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCC1)C=O |r|
Show InChI InChI=1S/C21H34N4O5/c26-14-24(30)13-16(12-15-6-1-2-7-15)20(28)25-11-5-10-18(25)19(27)23-21(29)22-17-8-3-4-9-17/h14-18,30H,1-13H2,(H2,22,23,27,29)/t16-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383999
PNG
(CHEMBL2032137)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccc1)C=O |r|
Show InChI InChI=1S/C24H34N4O5/c29-17-27(33)16-20(15-19-9-4-5-10-19)23(31)28-14-6-11-21(28)22(30)26-24(32)25-13-12-18-7-2-1-3-8-18/h1-3,7-8,17,19-21,33H,4-6,9-16H2,(H2,25,26,30,32)/t20-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383966
PNG
(CHEMBL2032148)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cnc[nH]1)C=O |r|
Show InChI InChI=1S/C21H32N6O5/c28-14-26(32)12-16(10-15-4-1-2-5-15)20(30)27-9-3-6-18(27)19(29)25-21(31)23-8-7-17-11-22-13-24-17/h11,13-16,18,32H,1-10,12H2,(H,22,24)(H2,23,25,29,31)/t16-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383998
PNG
(CHEMBL2032136)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCc1ccccc1)C=O |r|
Show InChI InChI=1S/C23H32N4O5/c28-16-26(32)15-19(13-17-7-4-5-8-17)22(30)27-12-6-11-20(27)21(29)25-23(31)24-14-18-9-2-1-3-10-18/h1-3,9-10,16-17,19-20,32H,4-8,11-15H2,(H2,24,25,29,31)/t19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50384000
PNG
(CHEMBL2032138)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCCc1ccccc1)C=O |r|
Show InChI InChI=1S/C25H36N4O5/c30-18-28(34)17-21(16-20-10-4-5-11-20)24(32)29-15-7-13-22(29)23(31)27-25(33)26-14-6-12-19-8-2-1-3-9-19/h1-3,8-9,18,20-22,34H,4-7,10-17H2,(H2,26,27,31,33)/t21-,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383997
PNG
(CHEMBL2032135)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCCC1)C=O |r|
Show InChI InChI=1S/C22H36N4O5/c27-15-25(31)14-17(13-16-7-4-5-8-16)21(29)26-12-6-11-19(26)20(28)24-22(30)23-18-9-2-1-3-10-18/h15-19,31H,1-14H2,(H2,23,24,28,30)/t17-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383994
PNG
(CHEMBL2032132)
Show SMILES CC(C)(C)NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C20H34N4O5/c1-20(2,3)22-19(28)21-17(26)16-9-6-10-24(16)18(27)15(12-23(29)13-25)11-14-7-4-5-8-14/h13-16,29H,4-12H2,1-3H3,(H2,21,22,26,28)/t15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383987
PNG
(CHEMBL2032125)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCCC1)C=O |r|
Show InChI InChI=1S/C21H33N3O6/c25-14-23(29)13-16(12-15-6-1-2-7-15)20(27)24-11-5-10-18(24)19(26)22-21(28)30-17-8-3-4-9-17/h14-18,29H,1-13H2,(H,22,26,28)/t16-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383982
PNG
(CHEMBL2032119)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccccc1)C=O |r|
Show InChI InChI=1S/C22H29N3O5/c26-15-24(30)14-18(13-16-7-4-5-8-16)22(29)25-12-6-11-19(25)21(28)23-20(27)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,30H,4-8,11-14H2,(H,23,27,28)/t18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383995
PNG
(CHEMBL2032133)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCC1)C=O |r|
Show InChI InChI=1S/C20H32N4O5/c25-13-23(29)12-15(11-14-5-1-2-6-14)19(27)24-10-4-9-17(24)18(26)22-20(28)21-16-7-3-8-16/h13-17,29H,1-12H2,(H2,21,22,26,28)/t15-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383988
PNG
(CHEMBL2032126)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCCCC1)C=O |r|
Show InChI InChI=1S/C22H35N3O6/c26-15-24(30)14-17(13-16-7-4-5-8-16)21(28)25-12-6-11-19(25)20(27)23-22(29)31-18-9-2-1-3-10-18/h15-19,30H,1-14H2,(H,23,27,29)/t17-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383993
PNG
(CHEMBL2032131)
Show SMILES CC(C)NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C19H32N4O5/c1-13(2)20-19(27)21-17(25)16-8-5-9-23(16)18(26)15(11-22(28)12-24)10-14-6-3-4-7-14/h12-16,28H,3-11H2,1-2H3,(H2,20,21,25,27)/t15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383968
PNG
(CHEMBL2032140)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccncc1)C=O |r|
Show InChI InChI=1S/C23H33N5O5/c29-16-27(33)15-19(14-18-4-1-2-5-18)22(31)28-13-3-6-20(28)21(30)26-23(32)25-12-9-17-7-10-24-11-8-17/h7-8,10-11,16,18-20,33H,1-6,9,12-15H2,(H2,25,26,30,32)/t19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50384003
PNG
(CHEMBL2032142)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccn1)C=O |r|
Show InChI InChI=1S/C23H33N5O5/c29-16-27(33)15-18(14-17-6-1-2-7-17)22(31)28-13-5-9-20(28)21(30)26-23(32)25-12-10-19-8-3-4-11-24-19/h3-4,8,11,16-18,20,33H,1-2,5-7,9-10,12-15H2,(H2,25,26,30,32)/t18-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50384002
PNG
(CHEMBL2032141)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cccnc1)C=O |r|
Show InChI InChI=1S/C23H33N5O5/c29-16-27(33)15-19(13-17-5-1-2-6-17)22(31)28-12-4-8-20(28)21(30)26-23(32)25-11-9-18-7-3-10-24-14-18/h3,7,10,14,16-17,19-20,33H,1-2,4-6,8-9,11-13,15H2,(H2,25,26,30,32)/t19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383972
PNG
(CHEMBL2032146)
Show SMILES NCCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C18H31N5O5/c19-7-8-20-18(27)21-16(25)15-6-3-9-23(15)17(26)14(11-22(28)12-24)10-13-4-1-2-5-13/h12-15,28H,1-11,19H2,(H2,20,21,25,27)/t14-,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383969
PNG
(CHEMBL2032143)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cnccn1)C=O |r|
Show InChI InChI=1S/C22H32N6O5/c29-15-27(33)14-17(12-16-4-1-2-5-16)21(31)28-11-3-6-19(28)20(30)26-22(32)25-8-7-18-13-23-9-10-24-18/h9-10,13,15-17,19,33H,1-8,11-12,14H2,(H2,25,26,30,32)/t17-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...


Bioorg Med Chem Lett 22: 4028-32 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.086
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 540 total )  |  Next  |  Last  >>
Jump to: