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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31916 (Tryptophanhydroxamate, 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.92E+3 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31916 (Tryptophanhydroxamate, 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Escherichia coli IspF at pH 7.4 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM31916 (Tryptophanhydroxamate, 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Burkholderia pseudomallei IspF at pH 8 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM31916 (Tryptophanhydroxamate, 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50566954 (CHEMBL4874588) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50443770 (CHEMBL3094104) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50194153 (5'-CDP | CDP | CHEMBL425252 | Cytidine | Cytidine ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50443774 (CHEMBL3094106) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50443773 (CHEMBL1230528) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.35E+5 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50443771 (CHEMBL3094103) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.48E+5 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50443772 (CHEMBL1230597) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50443775 (CHEMBL3094105) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Northern Illinois University Curated by ChEMBL | Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method | Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM31916 (Tryptophanhydroxamate, 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 8.48E+5 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Burkholderia pseudomallei IspF at pH 6 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31910 (Cyclic CMP, 7) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 9.00E+5 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM21974 ((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243)) | BDBM50043799 ((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method | Citation and Details Article DOI: 10.1016/j.bmcl.2021.128273 BindingDB Entry DOI: 10.7270/Q2VT1WTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31914 (4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.02E+6 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31913 (1-beta-D-arabinofuranosylcytosine 5-monophosphate ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.89E+7 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31909 (Cytidine 2,3-cyclic phosphate, 6) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.05E+7 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Escherichia coli (strain K12)) | BDBM31915 (CDV | Cidofovir | HPMPC | US10071110, Compound Cid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4.00E+7 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair |