fosmidomycin [Ligand Id: 9739] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL203125 (Fosmidomycin) |
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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 (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 Dd2 assessed as reduction in parasite viability by [3H]-hypoxanthine incorporation assay | F | 6.54 | pIC50 | 290 | nM | IC50 | J Med Chem (2016) 59: 5587-5603 [PMID:26791529] |
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
