Found 9 hits 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 |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University
Curated by ChEMBL
| Assay Description Inhibitory concentration against DOXP reductoisomerase |
J Med Chem 48: 3547-63 (2005)
Article DOI: 10.1021/jm0491501 BindingDB Entry DOI: 10.7270/Q2VH5Q21 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of recombinant Escherichia coli DXR |
Bioorg Med Chem Lett 16: 1888-91 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.082 BindingDB Entry DOI: 10.7270/Q2FJ2GB6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli DXR |
ACS Med Chem Lett 2: 165-170 (2011)
Article DOI: 10.1021/ml100243r BindingDB Entry DOI: 10.7270/Q2XD12NV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli Dxr |
J Med Chem 57: 9740-63 (2014)
Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg/CNRS
Curated by ChEMBL
| Assay Description Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Tri... |
Bioorg Med Chem 22: 3713-9 (2014)
Article DOI: 10.1016/j.bmc.2014.05.004 BindingDB Entry DOI: 10.7270/Q2057HKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Universite de Strasbourg
| Assay Description Assays were performed in 50 mM Tris/HCl buffer, pH 7.5, containing 3 mM MgCl2 and 2 mM DTT. The concentrations of NADPH and DXP were 0.15 and 0.5 mM ... |
Bioorg Chem 59: 140-4 (2015)
Article DOI: 10.1016/j.bioorg.2015.02.008 BindingDB Entry DOI: 10.7270/Q2XS5T4J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Inhibition of recombinant Escherichia coli DXR |
J Med Chem 49: 2656-60 (2006)
Article DOI: 10.1021/jm051177c BindingDB Entry DOI: 10.7270/Q22F7N24 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 438 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiteit Gent
Curated by ChEMBL
| Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH... |
J Med Chem 58: 2988-3001 (2015)
Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
1-deoxy-D-xylulose 5-phosphate reductoisomerase
(398/398 = 100%)† (Escherichia coli) | BDBM50153713
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | PDB MMDB
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| n/a | n/a | 1.85E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana - Champaign
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli DXR |
J Med Chem 49: 7331-41 (2006)
Article DOI: 10.1021/jm060492b BindingDB Entry DOI: 10.7270/Q24J0HW7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |