α-mangostin [Ligand Id: 13469] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL323197 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| phosphodiesterase 4D/3`,5`-cyclic-AMP phosphodiesterase 4D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499] | ||||||||
| GtoPdb | - | - | 5.88 | pIC50 | 1310 | nM | IC50 | J Med Chem (2020) 63: 3370-3380 [PMID:32115956] |
| ChEMBL | Inhibition of human PDE4D2 (86 to 413 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method | B | 5.88 | pIC50 | 1310 | nM | IC50 | J Med Chem (2020) 63: 3370-3380 [PMID:32115956] |
| CYP19A1/Aromatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Inhibition of aromatase in human placental microsomes | B | 4.68 | pIC50 | 20700 | nM | IC50 | J Nat Prod (2008) 71: 1161-1166 [PMID:18558747] |
| cyclic GMP-AMP synthase/Cyclic GMP-AMP synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105728] [GtoPdb: 3165] [UniProtKB: Q8N884] | ||||||||
| ChEMBL | Binding affinity to STING (unknown origin) | B | 8.4 | pIC50 | 4 | nM | IC50 | Medchemcomm (2019) 10: 1999-2023 [PMID:32206239] |
| fatty acid synthase/Fatty acid synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4158] [GtoPdb: 2608] [UniProtKB: P49327] | ||||||||
| ChEMBL | Inhibition of FAS | B | 5.26 | pIC50 | 5540 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 6045-6047 [PMID:20817450] |
| isocitrate dehydrogenase (NADP(+)) 1/Isocitrate dehydrogenase [NADP] cytoplasmic in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2007625] [GtoPdb: 2884] [UniProtKB: O75874] | ||||||||
| ChEMBL | Competitive inhibition of IDH1-R132H mutant (unknown origin) using a-ketoglutarate and NADPH as substrate by steady state kinetic analysis | B | 5.55 | pKi | 2850 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 5625-5631 [PMID:26508549] |
| lysine demethylase 1A/Lysine-specific histone demethylase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341] | ||||||||
| ChEMBL | Inhibition of KDM1A (unknown origin) by fluorescence based assay | B | 5.55 | pIC50 | 2810 | nM | IC50 | Eur J Med Chem (2022) 231: 114143-114143 [PMID:35101649] |
| ChEMBL | Inhibition of LSD1 (unknown origin) by fluorescence analysis | B | 5.55 | pIC50 | 2810 | nM | IC50 | J Med Chem (2021) 64: 2466-2488 [PMID:33619958] |
| microtubule affinity regulating kinase 4/MAP/microtubule affinity-regulating kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5754] [GtoPdb: 2100] [UniProtKB: Q96L34] | ||||||||
| ChEMBL | Inhibition of recombinant human MARK4 incubated for 2 hrs by [gamma32P]ATP assay | B | 5.75 | pIC50 | 1770 | nM | IC50 | J Nat Prod (2019) 82: 2252-2261 [PMID:31343173] |
| sirtuin 2/NAD-dependent protein deacetylase sirtuin-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4462] [GtoPdb: 2708] [UniProtKB: Q8IXJ6] | ||||||||
| ChEMBL | Inhibition of human SIRT2 using sirtuin substrate incubated for 30 mins by enzymatic fluorescence assay | B | 5.04 | pIC50 | 9200 | nM | IC50 | Eur J Med Chem (2021) 224: 113709-113709 [PMID:34303869] |
| nuclear factor kappa B subunit 1/Nuclear factor NF-kappa-B p105 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3251] [GtoPdb: 3281] [UniProtKB: P19838] | ||||||||
| ChEMBL | Inhibition of p50 after 1 hr by ELISA | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Nat Prod (2009) 72: 2028-2031 [PMID:19839614] |
| Oxidized purine nucleoside triphosphate hydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3708265] [UniProtKB: P36639] | ||||||||
| ChEMBL | Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate measured after 30 mins by malachite green dye based inorganic phosphatase coupled absorbance assay | B | 6.33 | pIC50 | 470 | nM | IC50 | Eur J Med Chem (2019) 167: 153-160 [PMID:30771603] |
| Phosphoglycerate mutase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3334418] [UniProtKB: P18669] | ||||||||
| ChEMBL | Inhibition of PGAM1 (unknown origin) | B | 5.14 | pIC50 | 7200 | nM | IC50 | Bioorg Med Chem Lett (2021) 36: 127820-127820 [PMID:33513389] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against Plasmodium falciparum | F | 4.77 | pIC50 | 17000 | nM | IC50 | Bioorg Med Chem (2009) 17: 3229-3256 [PMID:19299148] |
| 12S-LOX/Polyunsaturated fatty acid lipoxygenase ALOX12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054] | ||||||||
| ChEMBL | Inhibition of human 12-hLO | B | 6.24 | pIC50 | 580 | nM | IC50 | Bioorg Med Chem (2007) 15: 6900-6908 [PMID:17826100] |
| 15-LOX-1/Polyunsaturated fatty acid lipoxygenase ALOX15 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050] | ||||||||
| ChEMBL | Inhibition of human 15-hLO2 | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem (2007) 15: 6900-6908 [PMID:17826100] |
| ChEMBL | Inhibition of human 15-hLO1 | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem (2007) 15: 6900-6908 [PMID:17826100] |
| Sialidase in Clostridium perfringens (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5189] [UniProtKB: P10481] | ||||||||
| ChEMBL | Competitive inhibition of Clostridium perfringens neuraminidase by fluorimetry | B | 5.24 | pKi | 5800 | nM | Ki | Bioorg Med Chem (2010) 18: 6258-6264 [PMID:20696581] |
| ChEMBL | Inhibition of Clostridium perfringens neuraminidase by fluorimetry | B | 4.91 | pIC50 | 12200 | nM | IC50 | Bioorg Med Chem (2010) 18: 6258-6264 [PMID:20696581] |
| Urate anion exchanger 1/Solute carrier family 22 member 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6120] [GtoPdb: 1031] [UniProtKB: Q96S37] | ||||||||
| ChEMBL | Inhibition of human URAT1-mediated [8-14C]uric acid uptake expressed in HEK293 cells using [8-14C]uric acid as substrate by liquid scintillation counter analysis | B | 4.23 | pIC50 | 58950 | nM | IC50 | J Nat Prod (2023) 86: 24-33 [PMID:36634312] |
| sphingomyelin phosphodiesterase 1/Sphingomyelin phosphodiesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2760] [GtoPdb: 2514] [UniProtKB: P17405] | ||||||||
| ChEMBL | Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay | B | 4.61 | pIC50 | 24740 | nM | IC50 | Eur J Med Chem (2018) 151: 389-400 [PMID:29649738] |
| ChEMBL | Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay | B | 4.85 | pIC50 | 14100 | nM | IC50 | J Med Chem (2020) 63: 961-974 [PMID:31944697] |
| ChEMBL | Inhibition of aSMase (unknown origin) by fluorescence based analysis | B | 4.85 | pIC50 | 14100 | nM | IC50 | J Med Chem (2021) 64: 279-297 [PMID:33395289] |
| Sphingomyelin phosphodiesterase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295808] [UniProtKB: Q0VD19] | ||||||||
| ChEMBL | Inhibition of bovine brain-derived acidic sphingomyelinase | B | 4.85 | pIC50 | 14100 | nM | IC50 | Eur J Med Chem (2018) 151: 389-400 [PMID:29649738] |
| ChEMBL | Inhibition of bovine brain acidic sphingomyelinase using NBD-sphingomyelin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins | B | 4.85 | pIC50 | 14100 | nM | IC50 | J Med Chem (2024) 67: 10350-10373 [PMID:38888140] |
| RELA proto-oncogene, NF-kB subunit/Transcription factor p65 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5533] [GtoPdb: 3280] [UniProtKB: Q04206] | ||||||||
| ChEMBL | Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA | B | 4.8 | pIC50 | 15900 | nM | IC50 | J Nat Prod (2009) 72: 2028-2031 [PMID:19839614] |
| ChEMBL | Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELISA | B | 5 | pIC50 | >10000 | nM | IC50 | J Nat Prod (2011) 74: 1117-1125 [PMID:21428375] |
| protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis | B | 5.49 | pKi | 3200 | nM | Ki | Bioorg Med Chem (2018) 26: 737-746 [PMID:29306546] |
| ChEMBL | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry | B | 5.26 | pIC50 | 5500 | nM | IC50 | Bioorg Med Chem (2018) 26: 737-746 [PMID:29306546] |
ChEMBL data shown on this page come from version 36:
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]
