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PDB code 3G5K

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptide deformylase, mitochondrial

  (180/180 = 100%)
(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

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CHEMBL
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MCE
KEGG
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DrugBank
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)


BindingDB Entry DOI: 10.7270/Q2FN15MQ
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial

  (180/180 = 100%)
(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
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KEGG

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CHEMBL
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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2FN15MQ
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial

  (180/180 = 100%)
(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
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KEGG

UniProtKB/SwissProt

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CHEMBL
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PubMed
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)


BindingDB Entry DOI: 10.7270/Q2SN0886
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial

  (180/180 = 100%)
(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
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KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
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)


Article DOI: 10.1021/jm060910c
BindingDB Entry DOI: 10.7270/Q22Z16B7
More data for this
Ligand-Target Pair
Peptide deformylase, mitochondrial

  (180/180 = 100%)
(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
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Purchase

CHEMBL
DrugBank
MCE
KEGG
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PC cid
PC sid
PDB
UniChem

Patents


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DrugBank
Article
PubMed
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)


Article DOI: 10.1016/j.bmcl.2011.05.129
BindingDB Entry DOI: 10.7270/Q2VT1SGT
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output