Found 30 hits with Last Name = 'aubart' and Initial = 'km' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92766
(PDF inhibitor, compound 8)Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r| Show InChI InChI=1S/C26H31ClN8O3S/c1-18-6-2-4-8-21(18)28-24-29-25(34-12-10-33(11-13-34)22-9-5-3-7-20(22)27)31-26(30-24)35-17-39-16-19(35)14-38-15-23(36)32-37/h2-9,19,37H,10-17H2,1H3,(H,32,36)(H,28,29,30,31)/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Peptide deformylase
(Escherichia coli) | BDBM50535516
(CHEMBL4542964)Show SMILES CCC(=O)[C@@H](NC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC(C)C)CC(O)=O)C(C)C |r| Show InChI InChI=1S/C20H35N3O5/c1-6-16(24)18(13(4)5)22-19(27)15-8-7-9-21-23(15)20(28)14(10-12(2)3)11-17(25)26/h12-15,18,21H,6-11H2,1-5H3,(H,22,27)(H,25,26)/t14-,15+,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli PDF |
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 (strain ATCC BAA-255 / R6...) | BDBM92761
(PDF inhibitor, compound 3)Show SMILES CNC(=O)[C@@H]1CSCN1c1nc(Nc2c(C)cccc2C(=O)NC)nc(n1)N1CCN(CC1)c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN9O2S/c1-17-7-6-8-18(23(38)29-2)22(17)31-25-32-26(34-27(33-25)37-16-40-15-21(37)24(39)30-3)36-13-11-35(12-14-36)20-10-5-4-9-19(20)28/h4-10,21H,11-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,32,33,34)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92764
(PDF inhibitor, compound 6)Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r| Show InChI InChI=1S/C28H34ClN9O4S/c1-18-6-5-7-20(25(40)30-2)24(18)31-26-32-27(37-12-10-36(11-13-37)22-9-4-3-8-21(22)29)34-28(33-26)38-17-43-16-19(38)14-42-15-23(39)35-41/h3-9,19,41H,10-17H2,1-2H3,(H,30,40)(H,35,39)(H,31,32,33,34)/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92760
(PDF inhibitor, compound 2)Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r| Show InChI InChI=1S/C28H33ClN10O4S/c1-17-6-5-7-18(24(41)30-2)23(17)32-26-33-27(38-12-10-37(11-13-38)20-9-4-3-8-19(20)29)35-28(34-26)39-16-44-15-21(39)25(42)31-14-22(40)36-43/h3-9,21,43H,10-16H2,1-2H3,(H,30,41)(H,31,42)(H,36,40)(H,32,33,34,35)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 334 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92765
(PDF inhibitor, compound 7)Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r| Show InChI InChI=1S/C26H30ClN9O3S/c1-17-6-2-4-8-19(17)29-24-30-25(35-12-10-34(11-13-35)20-9-5-3-7-18(20)27)32-26(31-24)36-16-40-15-21(36)23(38)28-14-22(37)33-39/h2-9,21,39H,10-16H2,1H3,(H,28,38)(H,33,37)(H,29,30,31,32)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92759
(PDF inhibitor, compound 1)Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(8-22(25)9-23)12(24)20-21-13-18-7-6-11(19-13)14(15,16)17/h6-7,9-10,25H,2-5,8H2,1H3,(H,20,24)(H,18,19,21)/t10-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92762
(PDF inhibitor, compound 4)Show InChI InChI=1S/C11H11Cl2NO3/c12-9-3-1-2-8(10(9)13)11(17)14-5-4-7(16)6-15/h1-3,6-7,16H,4-5H2,(H,14,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Streptococcus pneumoniae (strain ATCC BAA-255 / R6...) | BDBM92763
(PDF inhibitor, compound 5)Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-3-8(9(7)11)15-5-4-12(14)6-13/h1-3,6,14H,4-5H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description
Binding assay using PDF inhibitors. |
Biochemistry 50: 6642-54 (2011)
Article DOI: 10.1021/bi200655g
BindingDB Entry DOI: 10.7270/Q2MS3RBV |
More data for this
Ligand-Target Pair | |
Peptide deformylase
(Staphylococcus aureus) | BDBM50535514
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535505
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535513
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535518
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535515
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535497
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535500
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535512
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535508
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535504
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535511
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535501
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535499
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535503
(CHEMBL4454464)Show SMILES CN1CCN(CC1)c1cncc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)n1 |r| Show InChI InChI=1S/C24H38N8O4/c1-29-9-11-30(12-10-29)22-15-25-14-21(27-22)28-23(34)20-7-4-8-26-32(20)24(35)19(16-31(36)17-33)13-18-5-2-3-6-18/h14-15,17-20,26,36H,2-13,16H2,1H3,(H,27,28,34)/t19-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535506
(CHEMBL4440847)Show SMILES CCCNC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C18H32N4O4/c1-2-9-19-17(24)16-8-5-10-20-22(16)18(25)15(12-21(26)13-23)11-14-6-3-4-7-14/h13-16,20,26H,2-12H2,1H3,(H,19,24)/t15-,16+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535502
(GSK-1322322B | GSK1322322 | GSK1322322B | Lanopepd...)Show SMILES [H][C@@](CC1CCCC1)(CN(O)C=O)C(=O)NNc1nc(C)nc(N2CCN3CCOC[C@]3([H])C2)c1F |r| Show InChI InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535498
(CHEMBL4435803)Show SMILES Cc1cccnc1NC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C21H31N5O4/c1-15-6-4-10-22-19(15)24-20(28)18-9-5-11-23-26(18)21(29)17(13-25(30)14-27)12-16-7-2-3-8-16/h4,6,10,14,16-18,23,30H,2-3,5,7-9,11-13H2,1H3,(H,22,24,28)/t17-,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535510
(CHEMBL4471518)Show SMILES CN(C(=O)[C@@H]1CCCNN1C(=O)[C@H](CC1CCCC1)CN(O)C=O)c1ccccn1 |r| Show InChI InChI=1S/C21H31N5O4/c1-24(19-10-4-5-11-22-19)21(29)18-9-6-12-23-26(18)20(28)17(14-25(30)15-27)13-16-7-2-3-8-16/h4-5,10-11,15-18,23,30H,2-3,6-9,12-14H2,1H3/t17-,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535507
(CHEMBL4547624)Show SMILES CN(C)c1cccc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)n1 |r| Show InChI InChI=1S/C22H34N6O4/c1-26(2)20-11-5-10-19(24-20)25-21(30)18-9-6-12-23-28(18)22(31)17(14-27(32)15-29)13-16-7-3-4-8-16/h5,10-11,15-18,23,32H,3-4,6-9,12-14H2,1-2H3,(H,24,25,30)/t17-,18+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50535517
(CHEMBL4474270)Show SMILES OB1OCc2c1cccc2NC(=O)[C@@H]1CCCNN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C22H31BN4O6/c28-14-26(32)12-16(11-15-5-1-2-6-15)22(30)27-20(9-4-10-24-27)21(29)25-19-8-3-7-18-17(19)13-33-23(18)31/h3,7-8,14-16,20,24,31-32H,1-2,4-6,9-13H2,(H,25,29)/t16-,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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