Found 8 hits of Enzyme Inhibition Constant Data 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
(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 | |