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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 |
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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 | 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] |
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 | Antimalarial activity against MRA-150, chloroquine, pyrimethamine, mefloquine-resistant asexual blood stage Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 6.06 | pIC50 | 880 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1515-1519 [PMID:25754494] |
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] |
ChEMBL | Antimalarial activity against chloroquine and mefloquine-resistant Plasmodium falciparum Dd2 after 48 hrs by SYBR Green I assay | F | 6.09 | pIC50 | 810 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2112-2116 [PMID:25881827] |
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 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]