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Compile Data Set for Download or QSAR

Found 440 hits of ic50 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


(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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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
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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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n/an/a 0.430n/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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50137332
PNG
((R)-2-Cyclopentylmethyl-N-[(S)-1-(4,5-difluoro-2-m...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCOCC1
Show InChI InChI=1S/C26H37F2N3O5/c1-26(2,3)24(29-25(34)18(15-31(35)16-32)12-17-6-4-5-7-17)23(33)19-13-20(27)21(28)14-22(19)30-8-10-36-11-9-30/h13-14,16-18,24,35H,4-12,15H2,1-3H3,(H,29,34)/t18-,24-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme


Bioorg Med Chem Lett 14: 59-62 (2003)


BindingDB Entry DOI: 10.7270/Q2T43SHT
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
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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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


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50137327
PNG
((R)-2-Cyclopentylmethyl-N-[(S)-1-(3-fluoro-4-morph...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C26H38FN3O5/c1-26(2,3)24(28-25(33)20(16-30(34)17-31)14-18-6-4-5-7-18)23(32)19-8-9-22(21(27)15-19)29-10-12-35-13-11-29/h8-9,15,17-18,20,24,34H,4-7,10-14,16H2,1-3H3,(H,28,33)/t20-,24-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme


Bioorg Med Chem Lett 14: 59-62 (2003)


BindingDB Entry DOI: 10.7270/Q2T43SHT
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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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


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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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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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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


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
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


(Escherichia coli)
BDBM50137324
PNG
((R)-2-Cyclopentylmethyl-N-{(S)-1-[4,5-difluoro-2-(...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCC(O)CC1
Show InChI InChI=1S/C27H39F2N3O5/c1-27(2,3)25(30-26(36)18(15-32(37)16-33)12-17-6-4-5-7-17)24(35)20-13-21(28)22(29)14-23(20)31-10-8-19(34)9-11-31/h13-14,16-19,25,34,37H,4-12,15H2,1-3H3,(H,30,36)/t18-,25-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme


Bioorg Med Chem Lett 14: 59-62 (2003)


BindingDB Entry DOI: 10.7270/Q2T43SHT
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50137345
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)c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C21H32N2O5/c1-6-7-8-16(13-23(27)14-24)20(26)22-19(21(2,3)4)18(25)15-9-11-17(28-5)12-10-15/h9-12,14,16,19,27H,6-8,13H2,1-5H3,(H,22,26)/t16-,19-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme


Bioorg Med Chem Lett 14: 59-62 (2003)


BindingDB Entry DOI: 10.7270/Q2T43SHT
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50137341
PNG
((R)-2-Cyclopentylmethyl-N-((S)-1-{3-fluoro-4-[4-(2...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCO)CC2)c(F)c1
Show InChI InChI=1S/C28H43FN4O5/c1-28(2,3)26(30-27(37)22(18-33(38)19-35)16-20-6-4-5-7-20)25(36)21-8-9-24(23(29)17-21)32-12-10-31(11-13-32)14-15-34/h8-9,17,19-20,22,26,34,38H,4-7,10-16,18H2,1-3H3,(H,30,37)/t22-,26-/m1/s1
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British Biotech Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme


Bioorg Med Chem Lett 14: 59-62 (2003)


BindingDB Entry DOI: 10.7270/Q2T43SHT
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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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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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


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383964
PNG
(CHEMBL2032111)
Show SMILES COCC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C18H29N3O6/c1-27-11-16(23)19-17(24)15-7-4-8-21(15)18(25)14(10-20(26)12-22)9-13-5-2-3-6-13/h12-15,26H,2-11H2,1H3,(H,19,23,24)/t14-,15+/m1/s1
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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
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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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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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


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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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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
BindingDB Entry DOI: 10.7270/Q2K64K3V
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


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
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 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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
Peptide deformylase


(Streptococcus pneumoniae serotype 4 (strain ATCC B...)
BDBM50383977
PNG
(CHEMBL2032114)
Show SMILES CC(C)(C)C(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r|
Show InChI InChI=1S/C20H33N3O5/c1-20(2,3)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 1.30n/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
BindingDB Entry DOI: 10.7270/Q2K64K3V
More data for this
Ligand-Target Pair
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