JP1302 [Ligand Id: 3930] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL106525 (TCMDC-123912, GNF-Pf-3427, MMV006172)
  • α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
There should be some charts here, you may need to enable JavaScript!
  • α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
There should be some charts here, you may need to enable JavaScript!
  • α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825]
There should be some charts here, you may need to enable JavaScript!
  • Calcium-dependent protein kinase 1 in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL1908387] [UniProtKB: P62344]
There should be some charts here, you may need to enable JavaScript!
  • Calcium-dependent protein kinase 4 in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL2169725] [UniProtKB: Q8IBS5]
There should be some charts here, you may need to enable JavaScript!
  • Cdk-related protein kinase 6 in Plasmodium falciparum [ChEMBL: CHEMBL3301558] [UniProtKB: O77239]
There should be some charts here, you may need to enable JavaScript!
  • Glucose transporter in Leishmania mexicana [ChEMBL: CHEMBL3431938] [UniProtKB: O61059]
  • Glucose transporter 1/Glucose transporter in Human [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
There should be some charts here, you may need to enable JavaScript!
  • Hexose transporter 1 in Plasmodium falciparum [ChEMBL: CHEMBL4697] [UniProtKB: O97467]
There should be some charts here, you may need to enable JavaScript!
  • Plasmodium falciparum lysine--tRNA ligase/Lysine--tRNA ligase in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL3301561] [GtoPdb: 3059] [UniProtKB: Q8IDJ8]
There should be some charts here, you may need to enable JavaScript!
  • Mitogen-activated protein kinase in Plasmodium falciparum [ChEMBL: CHEMBL3301559] [UniProtKB: Q25917]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Plasmodium falciparum proline--tRNA ligase/Proline--tRNA ligase in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL3301560] [GtoPdb: 3056] [UniProtKB: Q8I5R7]
There should be some charts here, you may need to enable JavaScript!
  • Putative uncharacterized protein pk7 in Plasmodium falciparum [ChEMBL: CHEMBL6169] [UniProtKB: O96214]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
ChEMBL Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells B 5.49 pKi 3200 nM Ki J. Med. Chem. (2006) 49: 6351-6363 [PMID:17034141]
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
ChEMBL Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells B 5.82 pKi 1500 nM Ki J. Med. Chem. (2006) 49: 6351-6363 [PMID:17034141]
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825]
ChEMBL Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells B 7.55 pKi 28 nM Ki J. Med. Chem. (2006) 49: 6351-6363 [PMID:17034141]
ChEMBL Binding affinity to human cloned Alpha-2C adrenergic receptor B 7.55 pKi 27.99 nM Ki Eur. J. Med. Chem. (2011) 46: 877-884 [PMID:21277656]
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 5.17 pIC50 6745 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 5.24 pIC50 5816 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 5.23 pIC50 5885 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: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr Green I Fluorescence assay. Starting conditions were 1% trophozoite synchronised parasites at 2% haematocrit. Fluorescence detection completed after 48hr incubation at 37 degrees C under 1% O2, 3% CO2 and balance N2. F 5.8 pIC50 1596 nM IC50 MMV box screening in the Dd2 P. falciparum strain
ChEMBL MMV: Measure of pLDH activity as indication of parasite viability. Gametocytogenesis of 3D7 Plasmodium falciparum strain was induced in vitro and asexual parasites were depleted with N-acetylglucosamine. Gametocytes were treated with dihydroartemisinin, epoxomicin, methylene blue, primaquine, puromycin or chloroquine in 96-well plates and the pLDH activity was evaluated using a modified Makler protocol. Mosquito infectivity was measured by the standard membrane feeding assay. The IC50 value was extrapolated as the concentration that induced a 50% inhibition of gametocyte viability. F 6.14 pIC50 732.02 nM IC50 MMV Malaria Box screening in pLDH viability assay against Plasmodium falciparum gametocytes.
ChEMBL MMV: Modified 3H-Hyoxanthine uptake assay; RPMI 1640 (Invitrogen cat#23400-013) without Sodium Bicarbonate (NaHCO3). F 6.57 pIC50 269 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 6.93 pIC50 117 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; RPMI 1640 (Invitrogen cat#11875-093) with Sodium Bicarbonate (NaHCO3) 2000 mg/mL. F 7.01 pIC50 98 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 7.12 pIC50 76 nM IC50 MMV Mararia Box screening against P. falciparum asexual stage parasites under hypoxia and bicarbonate modified culture conditions.
ChEMBL MMV: Inhibition of Plasmodium falciparum K1 (EC50). F 6.31 pEC50 487 nM EC50 Malaria Box
ChEMBL MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). F 6.85 pEC50 141.5 nM EC50 Malaria Box
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay F 7.02 pEC50 95.5 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay F 7.25 pEC50 56.7 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2008) 105: 9059-9064 [PMID:18579783]
Plasmodium yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612889]
ChEMBL NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration F 6.26 pIC50 547 nM IC50 Science (2011) 334: 1372-1377 [PMID:22096101]
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.

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]