P218 [Ligand Id: 9740] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3040038 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase in Plasmodium falciparum K1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1939] [UniProtKB: P13922] | ||||||||
| ChEMBL | Inhibition of wild type Plasmodium falciparum DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry analysis | B | 9.37 | pKi | 0.43 | nM | Ki | RSC Med Chem (2023) 14: 1755-1766 [PMID:37731689] |
| dihydrofolate reductase/Dihydrofolate reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL202] [GtoPdb: 2603] [UniProtKB: P00374] | ||||||||
| ChEMBL | Inhibition of human DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry analysis | B | 7.76 | pKi | 17.41 | nM | Ki | RSC Med Chem (2023) 14: 1755-1766 [PMID:37731689] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against PYR-resistant Plasmodium falciparum V1/S encoding QM DHFR infected in human erythrocytes assessed as inhibition of parasite growth by [3H]-hypoxanthine incorporation assay | F | 7.25 | pIC50 | 56 | nM | IC50 | RSC Med Chem (2023) 14: 1755-1766 [PMID:37731689] |
| ChEMBL | Antiplasmodial activity against PYR-sensitive Plasmodium falciparum TM4/8.2 encoding WT DHFR infected in human erythrocytes assessed as inhibition of parasite growth by [3H]-hypoxanthine incorporation assay | F | 8.3 | pIC50 | 5 | nM | IC50 | RSC Med Chem (2023) 14: 1755-1766 [PMID:37731689] |
| ChEMBL | Antimalarial activity against wildtype Plasmodium falciparum TM4 | F | 8.34 | pIC50 | 4.6 | nM | IC50 | Eur J Med Chem (2021) 210: 112955-112955 [PMID:33131885] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum V1/S harboring DHFR N51I+C59R+S108N+I164L quadruple mutant assessed as reduction parasite growth by [3H]-hypoxanthine incorporation assay | F | 7.25 | pEC50 | 56 | nM | EC50 | Medchemcomm (2016) 7: 749-768 |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum TM4 [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 8.34 | pIC50 | 4.6 | nM | IC50 | Proc Natl Acad Sci USA (2012) 109: 16823-8 [PMID:23035243] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite liver stage assay | - | 7.92 | pEC50 | <12 | nM | EC50 | Nat Commun (2018) 9: 1837 [PMID:29743474] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium falciparum NF54 [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite exflagellation assay | - | 8.4 | pIC50 | 4 | nM | IC50 | Int J Parasitol (2021) 51: 635-642 [PMID:33713651] |
| Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase in Plasmodium vivax [GtoPdb: 2981] | ||||||||
| GtoPdb | Parasite liver stage assay | - | 7.35 | pEC50 | 45 | nM | EC50 | Nat Commun (2018) 9: 1837 [PMID:29743474] |
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]
