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Compile Data Set for Download or QSAR

Found 71 hits of ic50 for UniProtKB: P68825   
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


(Staphylococcus aureus)
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
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n/an/a 0.520n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535514
PNG
(CHEMBL4458398)
Show SMILES Cc1nc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)sc1C |r|
Show InChI InChI=1S/C20H31N5O4S/c1-13-14(2)30-20(22-13)23-18(27)17-8-5-9-21-25(17)19(28)16(11-24(29)12-26)10-15-6-3-4-7-15/h12,15-17,21,29H,3-11H2,1-2H3,(H,22,23,27)/t16-,17+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
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
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n/an/a 0.860n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 0.930n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535505
PNG
(CHEMBL4462876)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1cnccn1)C=O |r|
Show InChI InChI=1S/C19H28N6O4/c26-13-24(29)12-15(10-14-4-1-2-5-14)19(28)25-16(6-3-7-22-25)18(27)23-17-11-20-8-9-21-17/h8-9,11,13-16,22,29H,1-7,10,12H2,(H,21,23,27)/t15-,16+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
BDBM50535509
PNG
(CHEMBL4457234)
Show SMILES CCc1nnc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)s1 |r|
Show InChI InChI=1S/C19H30N6O4S/c1-2-16-22-23-19(30-16)21-17(27)15-8-5-9-20-25(15)18(28)14(11-24(29)12-26)10-13-6-3-4-7-13/h12-15,20,29H,2-11H2,1H3,(H,21,23,27)/t14-,15+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
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
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535513
PNG
(CHEMBL4572153)
Show SMILES CN(C)c1cc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)ncn1 |r|
Show InChI InChI=1S/C21H33N7O4/c1-26(2)19-11-18(22-13-23-19)25-20(30)17-8-5-9-24-28(17)21(31)16(12-27(32)14-29)10-15-6-3-4-7-15/h11,13-17,24,32H,3-10,12H2,1-2H3,(H,22,23,25,30)/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by fluorescence detection assay


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


(Staphylococcus aureus)
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
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n/an/a 1.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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n/an/a 1.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383967
PNG
(CHEMBL2032122)
Show SMILES CC(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C19H31N3O6/c1-13(2)28-19(26)20-17(24)16-8-5-9-22(16)18(25)15(11-21(27)12-23)10-14-6-3-4-7-14/h12-16,27H,3-11H2,1-2H3,(H,20,24,26)/t15-,16+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535515
PNG
(CHEMBL4559778)
Show SMILES Cc1ccnc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1 |r|
Show InChI InChI=1S/C21H31N5O4/c1-15-8-10-22-19(11-15)24-20(28)18-7-4-9-23-26(18)21(29)17(13-25(30)14-27)12-16-5-2-3-6-16/h8,10-11,14,16-18,23,30H,2-7,9,12-13H2,1H3,(H,22,24,28)/t17-,18+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by fluorescence detection assay


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


(Staphylococcus aureus)
BDBM50535518
PNG
(CHEMBL4448951)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1cccnn1)C=O |r|
Show InChI InChI=1S/C19H28N6O4/c26-13-24(29)12-15(11-14-5-1-2-6-14)19(28)25-16(7-3-10-21-25)18(27)22-17-8-4-9-20-23-17/h4,8-9,13-16,21,29H,1-3,5-7,10-12H2,(H,22,23,27)/t15-,16+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
BDBM50535512
PNG
(CHEMBL4434997)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccncn1)C=O |r|
Show InChI InChI=1S/C19H28N6O4/c26-13-24(29)11-15(10-14-4-1-2-5-14)19(28)25-16(6-3-8-22-25)18(27)23-17-7-9-20-12-21-17/h7,9,12-16,22,29H,1-6,8,10-11H2,(H,20,21,23,27)/t15-,16+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
BDBM50535508
PNG
(CHEMBL4518477)
Show SMILES Cc1ccc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)nc1 |r|
Show InChI InChI=1S/C21H31N5O4/c1-15-8-9-19(22-12-15)24-20(28)18-7-4-10-23-26(18)21(29)17(13-25(30)14-27)11-16-5-2-3-6-16/h8-9,12,14,16-18,23,30H,2-7,10-11,13H2,1H3,(H,22,24,28)/t17-,18+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by fluorescence detection assay


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


(Staphylococcus aureus)
BDBM50535500
PNG
(CHEMBL4568739)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccc(F)cn1)C=O |r|
Show InChI InChI=1S/C20H28FN5O4/c21-16-7-8-18(22-11-16)24-19(28)17-6-3-9-23-26(17)20(29)15(12-25(30)13-27)10-14-4-1-2-5-14/h7-8,11,13-15,17,23,30H,1-6,9-10,12H2,(H,22,24,28)/t15-,17+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
BDBM50535497
PNG
(CHEMBL4466084)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccccn1)C=O |r|
Show InChI InChI=1S/C20H29N5O4/c26-14-24(29)13-16(12-15-6-1-2-7-15)20(28)25-17(8-5-11-22-25)19(27)23-18-9-3-4-10-21-18/h3-4,9-10,14-17,22,29H,1-2,5-8,11-13H2,(H,21,23,27)/t16-,17+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
BDBM50383992
PNG
(CHEMBL2032130)
Show SMILES CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C18H30N4O5/c1-2-19-18(26)20-16(24)15-8-5-9-22(15)17(25)14(11-21(27)12-23)10-13-6-3-4-7-13/h12-15,27H,2-11H2,1H3,(H2,19,20,24,26)/t14-,15+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383965
PNG
(CHEMBL2032129)
Show SMILES CNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C17H28N4O5/c1-18-17(25)19-15(23)14-7-4-8-21(14)16(24)13(10-20(26)11-22)9-12-5-2-3-6-12/h11-14,26H,2-10H2,1H3,(H2,18,19,23,25)/t13-,14+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383991
PNG
(CHEMBL2029376)
Show SMILES NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C16H26N4O5/c17-16(24)18-14(22)13-6-3-7-20(13)15(23)12(9-19(25)10-21)8-11-4-1-2-5-11/h10-13,25H,1-9H2,(H3,17,18,22,24)/t12-,13+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383984
PNG
(CHEMBL2032121)
Show SMILES CCOC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C18H29N3O6/c1-2-27-18(25)19-16(23)15-8-5-9-21(15)17(24)14(11-20(26)12-22)10-13-6-3-4-7-13/h12-15,26H,2-11H2,1H3,(H,19,23,25)/t14-,15+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383979
PNG
(CHEMBL2032116)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CC1)C=O |r|
Show InChI InChI=1S/C19H29N3O5/c23-12-21(27)11-15(10-13-4-1-2-5-13)19(26)22-9-3-6-16(22)18(25)20-17(24)14-7-8-14/h12-16,27H,1-11H2,(H,20,24,25)/t15-,16+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
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
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383986
PNG
(CHEMBL2032124)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCC1)C=O |r|
Show InChI InChI=1S/C20H31N3O6/c24-13-22(28)12-15(11-14-5-1-2-6-14)19(26)23-10-4-9-17(23)18(25)21-20(27)29-16-7-3-8-16/h13-17,28H,1-12H2,(H,21,25,27)/t15-,17+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383980
PNG
(CHEMBL2032117)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCC1)C=O |r|
Show InChI InChI=1S/C21H33N3O5/c25-14-23(29)13-17(12-15-6-1-2-7-15)21(28)24-11-5-10-18(24)20(27)22-19(26)16-8-3-4-9-16/h14-18,29H,1-13H2,(H,22,26,27)/t17-,18+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535504
PNG
(CHEMBL4565584)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)ncn1 |r|
Show InChI InChI=1S/C24H38N8O4/c1-29-9-11-30(12-10-29)22-14-21(25-16-26-22)28-23(34)20-7-4-8-27-32(20)24(35)19(15-31(36)17-33)13-18-5-2-3-6-18/h14,16-20,27,36H,2-13,15H2,1H3,(H,25,26,28,34)/t19-,20+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by fluorescence detection assay


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


(Staphylococcus aureus)
BDBM50383971
PNG
(CHEMBL2032145)
Show SMILES OCCCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C19H32N4O6/c24-10-4-8-20-19(28)21-17(26)16-7-3-9-23(16)18(27)15(12-22(29)13-25)11-14-5-1-2-6-14/h13-16,24,29H,1-12H2,(H2,20,21,26,28)/t15-,16+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383973
PNG
(CHEMBL2032147)
Show SMILES NC(=O)CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C19H31N5O6/c20-16(26)7-8-21-19(29)22-17(27)15-6-3-9-24(15)18(28)14(11-23(30)12-25)10-13-4-1-2-5-13/h12-15,30H,1-11H2,(H2,20,26)(H2,21,22,27,29)/t14-,15+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383985
PNG
(CHEMBL2032123)
Show SMILES CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C20H33N3O6/c1-20(2,3)29-19(27)21-17(25)16-9-6-10-23(16)18(26)15(12-22(28)13-24)11-14-7-4-5-8-14/h13-16,28H,4-12H2,1-3H3,(H,21,25,27)/t15-,16+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383981
PNG
(CHEMBL2032118)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCCC1)C=O |r|
Show InChI InChI=1S/C22H35N3O5/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/h15-19,30H,1-14H2,(H,23,27,28)/t18-,19+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383970
PNG
(CHEMBL2032144)
Show SMILES OCCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C18H30N4O6/c23-9-7-19-18(27)20-16(25)15-6-3-8-22(15)17(26)14(11-21(28)12-24)10-13-4-1-2-5-13/h12-15,23,28H,1-11H2,(H2,19,20,25,27)/t14-,15+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383976
PNG
(CHEMBL2032113)
Show SMILES CC(C)CC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C20H33N3O5/c1-14(2)10-18(25)21-19(26)17-8-5-9-23(17)20(27)16(12-22(28)13-24)11-15-6-3-4-7-15/h13-17,28H,3-12H2,1-2H3,(H,21,25,26)/t16-,17+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383989
PNG
(CHEMBL2032127)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCOCC1)C=O |r|
Show InChI InChI=1S/C21H33N3O7/c25-14-23(29)13-16(12-15-4-1-2-5-15)20(27)24-9-3-6-18(24)19(26)22-21(28)31-17-7-10-30-11-8-17/h14-18,29H,1-13H2,(H,22,26,28)/t16-,18+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383983
PNG
(CHEMBL2032120)
Show SMILES COC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C17H27N3O6/c1-26-17(24)18-15(22)14-7-4-8-20(14)16(23)13(10-19(25)11-21)9-12-5-2-3-6-12/h11-14,25H,2-10H2,1H3,(H,18,22,24)/t13-,14+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535511
PNG
(CHEMBL4447270)
Show SMILES CN(C)c1cncc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)n1 |r|
Show InChI InChI=1S/C21H33N7O4/c1-26(2)19-12-22-11-18(24-19)25-20(30)17-8-5-9-23-28(17)21(31)16(13-27(32)14-29)10-15-6-3-4-7-15/h11-12,14-17,23,32H,3-10,13H2,1-2H3,(H,24,25,30)/t16-,17+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by fluorescence detection assay


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


(Staphylococcus aureus)
BDBM50383975
PNG
(CHEMBL2032112)
Show SMILES CC(C)C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C19H31N3O5/c1-13(2)17(24)20-18(25)16-8-5-9-22(16)19(26)15(11-21(27)12-23)10-14-6-3-4-7-14/h12-16,27H,3-11H2,1-2H3,(H,20,24,25)/t15-,16+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383978
PNG
(CHEMBL2032115)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCC1)C=O |r|
Show InChI InChI=1S/C20H31N3O5/c24-13-22(28)12-16(11-14-5-1-2-6-14)20(27)23-10-4-9-17(23)19(26)21-18(25)15-7-3-8-15/h13-17,28H,1-12H2,(H,21,25,26)/t16-,17+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535501
PNG
(CHEMBL4435970)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)Nc1ccccc1)C=O |r|
Show InChI InChI=1S/C21H30N4O4/c26-15-24(29)14-17(13-16-7-4-5-8-16)21(28)25-19(11-6-12-22-25)20(27)23-18-9-2-1-3-10-18/h1-3,9-10,15-17,19,22,29H,4-8,11-14H2,(H,23,27)/t17-,19+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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


(Staphylococcus aureus)
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
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n/an/a 5.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50383990
PNG
(CHEMBL2032128)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCNCC1)C=O |r|
Show InChI InChI=1S/C21H34N4O6/c26-14-24(30)13-16(12-15-4-1-2-5-15)20(28)25-11-3-6-18(25)19(27)23-21(29)31-17-7-9-22-10-8-17/h14-18,22,30H,1-13H2,(H,23,27,29)/t16-,18+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay


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


Article DOI: 10.1016/j.bmcl.2012.04.086
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Staphylococcus aureus)
BDBM50535499
PNG
(CHEMBL4437963)
Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1NCCC[C@H]1C(=O)N1CCCCC1)C=O |r|
Show InChI InChI=1S/C20H34N4O4/c25-15-23(28)14-17(13-16-7-2-3-8-16)19(26)24-18(9-6-10-21-24)20(27)22-11-4-1-5-12-22/h15-18,21,28H,1-14H2/t17-,18+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus PDF by absorbance detection assay


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
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