MMV008138 [Ligand Id: 10229] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL527593 (TCMDC-125815, GNF-Pf-4188, MMV008138)
  • Calcium-dependent protein kinase 1 in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL1908387] [UniProtKB: P62344]
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  • Calcium-dependent protein kinase 4 in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL2169725] [UniProtKB: Q8IBS5]
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  • Cdk-related protein kinase 6 in Plasmodium falciparum [ChEMBL: CHEMBL3301558] [UniProtKB: O77239]
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  • Glucose transporter in Leishmania mexicana [ChEMBL: CHEMBL3431938] [UniProtKB: O61059]
  • Glucose transporter 1/Glucose transporter in Human [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
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  • Hexose transporter 1 in Plasmodium falciparum [ChEMBL: CHEMBL4697] [UniProtKB: O97467]
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  • Plasmodium falciparum lysine--tRNA ligase/Lysine--tRNA ligase in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL3301561] [GtoPdb: 3059] [UniProtKB: Q8IDJ8]
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  • Mitogen-activated protein kinase in Plasmodium falciparum [ChEMBL: CHEMBL3301559] [UniProtKB: Q25917]
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  • Plasmodium falciparum proline--tRNA ligase/Proline--tRNA ligase in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL3301560] [GtoPdb: 3056] [UniProtKB: Q8I5R7]
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  • Putative uncharacterized protein pk7 in Plasmodium falciparum [ChEMBL: CHEMBL6169] [UniProtKB: O96214]
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  • Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase in Plasmodium falciparum W2 [GtoPdb: 3064]
  • Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase in Plasmodium falciparum [GtoPdb: 3064]
  • Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase in Plasmodium falciparum Dd2 [GtoPdb: 3064]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Calcium-dependent protein kinase 1 in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1908387] [UniProtKB: P62344]
ChEMBL MMV: CDPK1 Protein kinase inhibition assay using recombinant PfCDPK1, syntide 2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. F 6 pIC50 >1000 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Calcium-dependent protein kinase 4 in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2169725] [UniProtKB: Q8IBS5]
ChEMBL MMV: CDPK4 Protein kinase inhibition assay using recombinant PfCDPK4, syntide2 peptide substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. F 6 pIC50 >1000 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Cdk-related protein kinase 6 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3301558] [UniProtKB: O77239]
ChEMBL MMV: PK6 Protein kinase inhibition assay using recombinant PfPK6, Myelin Basic Protein (MBP) substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1.5 uM ATP, 5 mM MnCl2, and 15 ug/ml PK6 in a buffer of 100 mM Tris-HCl (pH 7.5). 50 ug/mL MBP was provided as the substrate; 10 uM staurosporine was used as a control inhibitor. Incubation time was 3 hours and 40 minutes.The catalytic activity of each kinase was considered proportional to ATP consumed, as determined from measurements of residual [ATP] with the luciferase-based reagent Kinase-Glo (Promega) following incubation. Luminescence (proportional to residual [ATP]) was measured on the plate readers FLx800 (BioTek Instruments, Winooski, VT, USA) and MicroBeta2. F 6 pIC50 >1000 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Glucose transporter in Leishmania mexicana (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3431938] [UniProtKB: O61059]
ChEMBL ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro F 4.92 pIC50 >12000 nM IC50 St. Jude Leishmania screening dataset.
Glucose transporter 1/Glucose transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
ChEMBL ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro F 4.92 pIC50 >12000 nM IC50 St. Jude Leishmania screening dataset.
Hexose transporter 1 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4697] [UniProtKB: O97467]
ChEMBL ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro F 4.92 pIC50 >12000 nM IC50 St. Jude Leishmania screening dataset.
Plasmodium falciparum lysine--tRNA ligase/Lysine--tRNA ligase in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3301561] [GtoPdb: 3059] [UniProtKB: Q8IDJ8]
ChEMBL MMV: KRS recombinant Plasmodium falciparum Lysyl-tRNA-synthetase, assay with yeast tRNA, ATP, and lysine and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. F 5.6 pIC50 >2500 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Mitogen-activated protein kinase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3301559] [UniProtKB: Q25917]
ChEMBL MMV: MAP2K Protein kinase inhibition assay using recombinant PfMAP2K, protein substrate, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 0.5 mM DTT, 1 mM MgCl2, 0.5 mg/mL BSA, and 10 ug/ml MAP2 in a buffer of 50 mM HEPES (pH 7.0). 0.5 mg/mL histone III-S served as the substrate (13); 100 uM AMP-PNP, an ATP analog, was used as a control inhibitor. Incubation time was 4 hours. F 6 pIC50 >1000 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL MMV: 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#11875-093) with Sodium Bicarbonate (NaHCO3) 2000 mg/mL. F 6 pIC50 >1000 nM IC50 MMV Mararia Box screening against P. falciparum asexual stage parasites under hypoxia and bicarbonate modified culture conditions.
ChEMBL MMV: Modified 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#23400-013) without Sodium Bicarbonate (NaHCO3). F 6 pIC50 >1000 nM IC50 MMV Mararia Box screening against P. falciparum asexual stage parasites under hypoxia and bicarbonate modified culture conditions.
ChEMBL MMV: 3H-Hyoxanthine uptake assay; 5% O2, 5% CO2 in N2. F 6 pIC50 >1000 nM IC50 MMV Mararia Box screening against P. falciparum asexual stage parasites under hypoxia and bicarbonate modified culture conditions.
ChEMBL MMV: Modified 3H-Hyoxanthine uptake assay; 1% O2, 5% CO2 in N2. F 6 pIC50 >1000 nM IC50 MMV Mararia Box screening against P. falciparum asexual stage parasites under hypoxia and bicarbonate modified culture conditions.
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay F 5.99 pEC50 1023 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay F 6.16 pEC50 688 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). F 6.46 pEC50 350 nM EC50 Malaria Box
Plasmodium falciparum proline--tRNA ligase/Proline--tRNA ligase in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3301560] [GtoPdb: 3056] [UniProtKB: Q8I5R7]
ChEMBL MMV: ProRS recombinant Plasmodium falciparum Prolyl-tRNA-synthetase, assay with yeast tRNA, ATP, and proline and 3 uM MMV malaria box compound, assay read out with kinase glo as % inhibition. F 5.6 pIC50 >2500 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Putative uncharacterized protein pk7 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6169] [UniProtKB: O96214]
ChEMBL MMV: PK7 Protein kinase inhibition assay using recombinant PfPK7, ATP and KinaseGlo to measure % inhibition at 1 uM MMV box compound. Final concentrations were 1 uM ATP, 2 mM DTT, 20 mM MgCl2, 2 mM MnCl2, 0.01% BSA, and 6 ug/ml PK7, in a buffer of 20 mM Tris-HCl (pH 7.5). The enzyme itself was the only substrate present (since autophosphorylation occurs); 100 uM 1NA-PP1 was used as a control inhibitor. Incubation time was 3 hours. F 6 pIC50 >1000 nM IC50 MMV Box screening against Plasmodium falciparum protein kinases and aminoacyl tRNA synthetases.
Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase in Plasmodium falciparum W2 [GtoPdb: 3064]
GtoPdb Parasite growth inhibition assay - 6.96 pEC50 110 nM EC50 Antimicrob. Agents Chemother. (2015) 59: 356-64 [PMID:25367906]
Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase in Plasmodium falciparum [GtoPdb: 3064]
GtoPdb Enzymatic activity measured using a pyrophosphate release assay - 8.15 pIC50 7 nM IC50 Antimicrob. Agents Chemother. (2015) 59: 356-64 [PMID:25367906]
Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase in Plasmodium falciparum Dd2 [GtoPdb: 3064]
GtoPdb Parasite growth inhibition assay - 6.6 pIC50 250 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 1515-9 [PMID:25754494]

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]