fosmidomycin [Ligand Id: 9739] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL203125 (Fosmidomycin)
  • 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Escherichia coli [ChEMBL: CHEMBL3421521] [UniProtKB: W8T2T2]
  • 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Mycobacterium tuberculosis [ChEMBL: CHEMBL5630] [UniProtKB: P9WNS1]
  • 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) [ChEMBL: CHEMBL2010623] [UniProtKB: A0QVH7]
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  • 1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic in Arabidopsis thaliana [ChEMBL: CHEMBL2285354] [UniProtKB: Q9XFS9]
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  • 1-deoxyxylulose-5-phosphate reductoisomerase in Escherichia coli K-12 [ChEMBL: CHEMBL4091] [UniProtKB: P45568]
  • 1-deoxyxylulose-5-phosphate reductoisomerase in Synechocystis sp. (strain PCC 6803 / Kazusa) [ChEMBL: CHEMBL4094] [UniProtKB: Q55663]
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  • Plasmodium falciparum (isolate K1 / Thailand) in Plasmodium falciparum K1 [ChEMBL: CHEMBL612856]
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  • Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Plasmodium falciparum A2 [GtoPdb: 2980]
  • Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Plasmodium falciparum Dd2 [GtoPdb: 2980]
  • Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Plasmodium falciparum HB3 [GtoPdb: 2980]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
1-deoxy-D-xylulose 5-phosphate reductoisomerase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3421521] [UniProtKB: W8T2T2]
ChEMBL Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH oxidation preincubated for 5 mins with NADPH followed by substrate addition by spectrophotometric analysis B 6.36 pIC50 438 nM IC50 J. Med. Chem. (2015) 58: 2988-3001 [PMID:25781377]
1-deoxy-D-xylulose 5-phosphate reductoisomerase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5630] [UniProtKB: P9WNS1]
ChEMBL Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2 B 7.4 pKd 40 nM Kd J. Med. Chem. (2013) 56: 6190-6199 [PMID:23819803]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preincubated for 10 mins B 6.85 pKi 140 nM Ki J. Med. Chem. (2011) 54: 4721-4734 [PMID:21561155]
ChEMBL Inhibition of Mycobacterium tuberculosis Dxr B 6.36 pIC50 440 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 649-653 [PMID:24360562]
ChEMBL Inhibition of Mycobacterium tuberculosis IspC by photometric assay B 6.64 pIC50 230 nM IC50 J. Med. Chem. (2013) 56: 8151-8162 [PMID:24032981]
ChEMBL Inhibition of Mycobacterium tuberculosis DXR assessed as NADPH-dependent conversion of 1-deoxy-D-xylulose 5-phosphate to 2-C-methyl-D-erythritol 4-phosphate by spectrophotometric method B 7.1 pIC50 80 nM IC50 J. Biol. Chem. (2007) 282: 19905-19916 [PMID:17491006]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and Mn2+ as cofactor preincubated for 10 mins B 7.1 pIC50 80 nM IC50 J. Med. Chem. (2011) 54: 4721-4734 [PMID:21561155]
ChEMBL Inhibition of Mycobacterium tuberculosis DXR assessed as reduction of 1-deoxy-D-xylulose 5-phosphate into 2-C-methyl-D-erythritol-4-phosphate measured for every 5 secs upto 500 secs by spectrophotometry analysis B 7.1 pIC50 80 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 5403-5407 [PMID:21824775]
ChEMBL Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate assessed as formation of MEP measured every 5 secs for 180 secs by spectrophotometric analysis B 7.1 pIC50 80 nM IC50 J. Med. Chem. (2013) 56: 6190-6199 [PMID:23819803]
1-deoxy-D-xylulose 5-phosphate reductoisomerase in Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2010623] [UniProtKB: A0QVH7]
ChEMBL Inhibition of Mycobacterium smegmatis DSM 43756 ATCC 19420 N-terminal his-tagged DXR expressed in XL1-blue Escherichia coli using NADPH and DXP as substrate preincubated for 2 mins with substrate before compound addition B 6.29 pIC50 510 nM IC50 Eur. J. Med. Chem. (2012) 51: 277-285 [PMID:22405649]
ChEMBL Inhibition of Mycobacterium smegmatis DXR B 7.1 pIC50 80 nM IC50 Eur. J. Med. Chem. (2012) 51: 277-285 [PMID:22405649]
1-deoxy-D-xylulose 5-phosphate reductoisomerase, chloroplastic in Arabidopsis thaliana (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2285354] [UniProtKB: Q9XFS9]
ChEMBL Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis B 7 pIC50 100 nM IC50 Pest Manag Sci (2013) 69: 559-563 [PMID:23471898]
1-deoxyxylulose-5-phosphate reductoisomerase in Escherichia coli K-12 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4091] [UniProtKB: P45568]
ChEMBL Inhibition of recombinant Escherichia coli DXR B 7.32 pIC50 48 nM IC50 J. Med. Chem. (2006) 49: 2656-2660 [PMID:16610809]
ChEMBL 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% Triton X100 B 7.49 pIC50 32 nM IC50 Bioorg. Med. Chem. (2014) 22: 3713-3719 [PMID:24890653]
ChEMBL Inhibition of Escherichia coli Dxr B 7.49 pIC50 32 nM IC50 J. Med. Chem. (2014) 57: 9740-9763 [PMID:25210872]
ChEMBL Inhibition of recombinant Escherichia coli DXR B 7.52 pIC50 30 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 1888-1891 [PMID:16439126]
ChEMBL Inhibition of Escherichia coli DXR B 7.52 pIC50 30 nM IC50 ACS Med. Chem. Lett. (2011) 2: 165-170 [PMID:21379374]
ChEMBL Inhibitory concentration against DOXP reductoisomerase B 7.7 pIC50 19.95 nM IC50 J. Med. Chem. (2005) 48: 3547-3563 [PMID:15887963]
1-deoxyxylulose-5-phosphate reductoisomerase in Synechocystis sp. (strain PCC 6803 / Kazusa) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4094] [UniProtKB: Q55663]
ChEMBL Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase B 7.68 pKi 21 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 5309-5312 [PMID:15454217]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasmodium falciparum D10 incubated for 3 days by HRP2 detection based ELISA method F 5.89 pIC50 1300 nM IC50 J. Med. Chem. (2015) 58: 2025-2035 [PMID:25633870]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 in infected human erythrocytes after 48 hrs F 5.92 pIC50 1200 nM IC50 Bioorg. Med. Chem. (2008) 16: 3361-3371 [PMID:18158249]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 F 5.96 pIC50 1100 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 1888-1891 [PMID:16439126]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 assessed as parasite growth inhibition F 6 pIC50 1000 nM IC50 J. Med. Chem. (2013) 56: 376-380 [PMID:23215035]
ChEMBL Antiplasmodial activity against blood stage forms of multidrug-resistant Plasmodium falciparum Dd2 incubated for 3 days by HRP2 detection based ELISA method F 6.09 pIC50 810 nM IC50 J. Med. Chem. (2015) 58: 2025-2035 [PMID:25633870]
ChEMBL Inhibition of Plasmodium falciparum Dd2 F 6.32 pIC50 480 nM IC50 J. Med. Chem. (2006) 49: 2656-2660 [PMID:16610809]
ChEMBL Inhibition of Plasmodium falciparum 3D7 F 6.4 pIC50 400 nM IC50 J. Med. Chem. (2006) 49: 2656-2660 [PMID:16610809]
ChEMBL Antimalarial activity against Plasmodium falciparum Dd2 F 6.44 pIC50 360 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 1888-1891 [PMID:16439126]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 after 3 days by SYBR green I assay F 5.93 pEC50 1170 nM EC50 ACS Med. Chem. Lett. (2013) 4: 278-282 [PMID:23795240]
ChEMBL Antimalarial activity against Plasmodium falciparum F 5.96 pEC50 1100 nM EC50 ACS Med. Chem. Lett. (2011) 2: 165-170 [PMID:21379374]
ChEMBL Antimalarial activity against Plasmodium falciparum Dd2 after 3 days by SYBR green I assay F 6.36 pEC50 440 nM EC50 ACS Med. Chem. Lett. (2013) 4: 278-282 [PMID:23795240]
Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922]
ChEMBL Antiplasmodial activity against blood stage forms of chloroquine-sensitive Plasmodium falciparum 3D7 incubated for 3 days by HRP2 detection based ELISA method F 6.06 pIC50 880 nM IC50 J. Med. Chem. (2015) 58: 2025-2035 [PMID:25633870]
Plasmodium falciparum (isolate K1 / Thailand) in Plasmodium falciparum K1 (target type: ORGANISM) [ChEMBL: CHEMBL612856]
ChEMBL Antimicrobial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human erythrocytes assessed as inhibition of parasite replication F 5.43 pIC50 3700 nM IC50 J. Med. Chem. (2011) 54: 6796-6802 [PMID:21866890]
ChEMBL Antiplasmodial activity against Plasmodium falciparum K1 by micro dilution assay F 5.76 pIC50 1730 nM IC50 J. Med. Chem. (2010) 53: 5342-5346 [PMID:20568776]
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Plasmodium falciparum A2 [GtoPdb: 2980]
GtoPdb Parasite growth inhibition assay - 6.43 pIC50 370 nM IC50 Science (1999) 285: 1573-6 [PMID:10477522]
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Plasmodium falciparum Dd2 [GtoPdb: 2980]
GtoPdb Parasite growth inhibition assay - 6.54 pIC50 290 nM IC50 Science (1999) 285: 1573-6 [PMID:10477522]
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase in Plasmodium falciparum HB3 [GtoPdb: 2980]
GtoPdb Parasite growth inhibition assay - 6.46 pIC50 350 nM IC50 Science (1999) 285: 1573-6 [PMID:10477522]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]