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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Peptide deformylase' AND taxid = 83332   
Target
(Institution)
LigandTarget
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


(Mycobacterium tuberculosis)
BDBM50255003
PNG
(CHEMBL519613 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...)
Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O
Show InChI InChI=1S/C19H24N4O3/c24-12-22(26)11-14(10-13-7-8-13)19(25)23-9-3-6-17(23)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17,26H,3,6-11H2,(H,20,21)/t14-,17+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255000
PNG
(CHEMBL443904 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H26N4O3/c1-2-3-7-14(12-22(26)13-24)19(25)23-11-6-10-17(23)18-20-15-8-4-5-9-16(15)21-18/h4-5,8-9,13-14,17,26H,2-3,6-7,10-12H2,1H3,(H,20,21)/t14-,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255030
PNG
(CHEMBL506649 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...)
Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1
Show InChI InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255032
PNG
(CHEMBL465740 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1
Show InChI InChI=1S/C20H27N3O4/c1-2-3-4-8-15(13-22(26)14-24)20(25)23-12-7-10-17(23)19-21-16-9-5-6-11-18(16)27-19/h5-6,9,11,14-15,17,26H,2-4,7-8,10,12-13H2,1H3/t15-,17+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255002
PNG
(CHEMBL482180 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...)
Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H28N4O3/c1-2-3-4-8-15(13-23(27)14-25)20(26)24-12-7-11-18(24)19-21-16-9-5-6-10-17(16)22-19/h5-6,9-10,14-15,18,27H,2-4,7-8,11-13H2,1H3,(H,21,22)/t15-,18+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255065
PNG
((S)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...)
Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H24N4O3/c1-2-3-7-12(17(23)21-25)18(24)22-11-6-10-15(22)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,25H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,23)/t12-,15+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255033
PNG
(CHEMBL463859 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...)
Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O
Show InChI InChI=1S/C19H23N3O4/c23-12-21(25)11-14(10-13-7-8-13)19(24)22-9-3-5-16(22)18-20-15-4-1-2-6-17(15)26-18/h1-2,4,6,12-14,16,25H,3,5,7-11H2/t14-,16+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255001
PNG
(CHEMBL482179 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...)
Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255031
PNG
(CHEMBL480220 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...)
Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1
Show InChI InChI=1S/C18H23N3O4/c1-2-6-13(11-20(24)12-22)18(23)21-10-5-8-15(21)17-19-14-7-3-4-9-16(14)25-17/h3-4,7,9,12-13,15,24H,2,5-6,8,10-11H2,1H3/t13-,15+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255066
PNG
((S)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-ca...)
Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2o1
Show InChI InChI=1S/C18H23N3O4/c1-2-3-7-12(16(22)20-24)18(23)21-11-6-9-14(21)17-19-13-8-4-5-10-15(13)25-17/h4-5,8,10,12,14,24H,2-3,6-7,9,11H2,1H3,(H,20,22)/t12-,14+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255004
PNG
(CHEMBL481391 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O
Show InChI InChI=1S/C22H24N4O3/c27-15-25(29)14-17(13-16-7-2-1-3-8-16)22(28)26-12-6-11-20(26)21-23-18-9-4-5-10-19(18)24-21/h1-5,7-10,15,17,20,29H,6,11-14H2,(H,23,24)/t17-,20+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255034
PNG
(CHEMBL518077 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O
Show InChI InChI=1S/C22H23N3O4/c26-15-24(28)14-17(13-16-7-2-1-3-8-16)22(27)25-12-6-10-19(25)21-23-18-9-4-5-11-20(18)29-21/h1-5,7-9,11,15,17,19,28H,6,10,12-14H2/t17-,19+/m1/s1
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n/an/a 161n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255063
PNG
((R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...)
Show SMILES CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H25N3O3/c1-2-3-7-13(12-17(23)24)19(25)22-11-6-10-16(22)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21)(H,23,24)/t13-,16+/m1/s1
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n/an/a 202n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
Peptide deformylase


(Mycobacterium tuberculosis)
BDBM50255064
PNG
((R)-3-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-ca...)
Show SMILES CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1
Show InChI InChI=1S/C19H24N2O4/c1-2-3-7-13(12-17(22)23)19(24)21-11-6-9-15(21)18-20-14-8-4-5-10-16(14)25-18/h4-5,8,10,13,15H,2-3,6-7,9,11-12H2,1H3,(H,22,23)/t13-,15+/m1/s1
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n/an/a 803n/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay


Bioorg Med Chem Lett 18: 6568-72 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)