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Compile Data Set for Download or QSAR

Found 397 hits with Last Name = 'duquenne' and Initial = 'c'   
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


(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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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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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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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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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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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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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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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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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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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...)
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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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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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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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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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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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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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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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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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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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


(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


(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


(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...)
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50341250
PNG
(CHEMBL1765751 | N-{(3R,5R)-1-[2-Amino-6-(3-amino-1...)
Show SMILES C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C |r|
Show InChI InChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28)/t14-,16-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50341249
PNG
(1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H...)
Show SMILES CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C24H34N8O2/c1-14-9-16(31(6)23(33)34-24(2,3)4)13-32(12-14)20-11-18(27-22(26-5)28-20)15-7-8-17-19(10-15)29-30-21(17)25/h7-8,10-11,14,16H,9,12-13H2,1-6H3,(H3,25,29,30)(H,26,27,28)/t14-,16-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
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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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...)
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)
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


(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


(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


(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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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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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...)
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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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)
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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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...)
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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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)
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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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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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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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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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
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