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ChEMBL ligand: CHEMBL269277 (ALS-357, .beta.-betulinic acid, Betulic acid, Betulinic acid, Lupatic acid, Mairin, NSC-113090, NSC-677578) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Ecto-5'-Nucleotidase/5`-nucleotidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5957] [GtoPdb: 1232] [UniProtKB: P21589] | ||||||||
ChEMBL | Inhibition of human CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr followed by substrate addition and measured after 2 hrs by malachite green reagent based colorimetric assay | B | 5.14 | pIC50 | 7280 | nM | IC50 | Bioorg Med Chem (2022) 59: 116672-116672 [PMID:35217359] |
Ecto-5'-Nucleotidase/5`-nucleotidase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680034] [GtoPdb: 1232] [UniProtKB: Q61503] | ||||||||
ChEMBL | Inhibition of mouse CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr followed by substrate addition and measured after 2 hrs by malachite green reagent based colorimetric assay | B | 4.16 | pIC50 | 68790 | nM | IC50 | Bioorg Med Chem (2022) 59: 116672-116672 [PMID:35217359] |
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218] | ||||||||
ChEMBL | Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Nat Prod (2011) 74: 1201-1206 [PMID:21561086] |
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] | ||||||||
ChEMBL | Inhibition of reductase activity of N-terminal 6His-tagged human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3) assessed as assessed as pyridine-3-aldehyde reduction | B | 4.96 | pIC50 | 11000 | nM | IC50 | J Nat Prod (2011) 74: 1201-1206 [PMID:21561086] |
Botulinum neurotoxin type A in Clostridium botulinum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5192] [UniProtKB: P0DPI0] | ||||||||
ChEMBL | Inhibition of Clostridium BoNT/A protease light chain | B | 4.84 | pKi | 14300 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 2229-2231 [PMID:21421315] |
ChEMBL | Inhibition of Clostridium BoNT/A protease light chain | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 2229-2231 [PMID:21421315] |
dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
ChEMBL | Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay | B | 4.25 | pIC50 | 55820 | nM | IC50 | Medchemcomm (2011) 2: 471-477 |
DNA polymerase beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2392] [GtoPdb: 3231] [UniProtKB: P06746] | ||||||||
ChEMBL | Inhibition of polymerase activity of DNA polymerase beta | B | 4.33 | pIC50 | 46250 | nM | IC50 | Bioorg Med Chem (2008) 16: 4331-4340 [PMID:18343122] |
ChEMBL | Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay | B | 4.36 | pIC50 | 43600 | nM | IC50 | J Nat Prod (2003) 66: 1463-1465 [PMID:14640519] |
ChEMBL | Inhibition of lyase activity of DNA polymerase beta | B | 4.47 | pIC50 | 33700 | nM | IC50 | Bioorg Med Chem (2008) 16: 4331-4340 [PMID:18343122] |
DNA polymerase beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4343] [GtoPdb: 3231] [UniProtKB: P06766] | ||||||||
ChEMBL | Inhibition of rat DNA polymerase beta in presence of 0.1 mg/mL BSA | B | 4.85 | pIC50 | 14000 | nM | IC50 | J Nat Prod (1999) 62: 1660-1663 [PMID:10654414] |
ChEMBL | Inhibition of rat DNA polymerase beta in absence of BSA | B | 5.19 | pIC50 | 6500 | nM | IC50 | J Nat Prod (1999) 62: 1660-1663 [PMID:10654414] |
Glycogen phosphorylase, muscle form in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4696] [UniProtKB: P00489] | ||||||||
ChEMBL | Inhibition of rabbit muscle glycogen phosphorylase A assessed as phosphate release from glucose-1-phosphate | B | 4.37 | pIC50 | 43000 | nM | IC50 | J Med Chem (2008) 51: 3540-3554 [PMID:18517260] |
ChEMBL | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader based method | B | 4.37 | pIC50 | 43000 | nM | IC50 | Eur J Med Chem (2011) 46: 2011-2021 [PMID:21439694] |
ChEMBL | Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader based method | B | 4.37 | pIC50 | 42657.95 | nM | IC50 | Eur J Med Chem (2011) 46: 2011-2021 [PMID:21439694] |
GP41 in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559676] [UniProtKB: Q76270] | ||||||||
ChEMBL | Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells after 6 to 8 hrs by luciferase assay | B | 4 | pEC50 | >100000 | nM | EC50 | J Med Chem (2014) 57: 7342-7354 [PMID:25156906] |
GPBA receptor/G-protein coupled bile acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6] | ||||||||
GtoPdb | - | - | 5.98 | pEC50 | 1040 | nM | EC50 | J Med Chem (2010) 53: 178-90 [PMID:19911773] |
ChEMBL | Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay | F | 5.98 | pEC50 | 1040 | nM | EC50 | J Med Chem (2010) 53: 178-190 [PMID:19911773] |
Liver X receptor-α/LXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133] | ||||||||
ChEMBL | Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligand binding domain by HTRF assay | B | 4.3 | pEC50 | >50000 | nM | EC50 | J Nat Prod (2005) 68: 1247-1252 [PMID:16124770] |
Liver X receptor-β/LXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055] | ||||||||
ChEMBL | Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand binding domain by HTRF assay | B | 4.3 | pEC50 | >50000 | nM | EC50 | J Nat Prod (2005) 68: 1247-1252 [PMID:16124770] |
Nonstructural protein 5 in Dengue virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295629] [UniProtKB: V5TFZ2] | ||||||||
ChEMBL | Inhibition of dengue virus NS5 RNA dependent RNA polymerase | B | 5.77 | pIC50 | 1700 | nM | IC50 | Eur J Med Chem (2019) 176: 431-455 [PMID:31128447] |
ChEMBL | Inhibition of DENV/NS5 RNA-dependent RNA polymerase | B | 5.77 | pIC50 | 1700 | nM | IC50 | Eur J Med Chem (2023) 256: 115416-115416 [PMID:37159959] |
RELA proto-oncogene, NF-kB subunit/Nuclear factor NF-kappa-B p65 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5533] [GtoPdb: 3280] [UniProtKB: Q04206] | ||||||||
ChEMBL | Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem (2018) 26: 4452-4460 [PMID:30057155] |
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238] | ||||||||
ChEMBL | Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay | B | 4 | pEC50 | >100000 | nM | EC50 | J Nat Prod (2014) 77: 1594-1600 [PMID:24955889] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 infected in human erythrocytes | F | 4.89 | pIC50 | 12780 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 265-272 [PMID:29326018] |
ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 rings after 48 hrs by FACS analysis | F | 5.28 | pIC50 | 5200 | nM | IC50 | J Nat Prod (2009) 72: 2130-2134 [PMID:19904919] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 incubated under low oxygen conditions after 72 hrs by SYBR green assay | F | 5.46 | pIC50 | 3440 | nM | IC50 | Bioorg Med Chem (2016) 24: 2544-2548 [PMID:27112454] |
ChEMBL | Antimalarial activity against ring stage Plasmodium falciparum 3D7 infected in type A-positive human erythrocytes after 72 hrs by SYBR green 1 dye-based fluorescence assay | F | 5.85 | pEC50 | 1419 | nM | EC50 | Bioorg Med Chem (2019) 27: 110-115 [PMID:30503412] |
protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
ChEMBL | Inhibition of PTP1B (unknown origin) | B | 5.82 | pIC50 | 1500 | nM | IC50 | Bioorg Med Chem (2021) 44: 116295-116295 [PMID:34246920] |
CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/SARS coronavirus 3C-like proteinase in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8] | ||||||||
ChEMBL | Inhibition of SARS coronavirus 3CL protease | B | 5.09 | pKi | 8200 | nM | Ki | J Med Chem (2007) 50: 4087-4095 [PMID:17663539] |
ChEMBL | Inhibition of SARS coronavirus 3CL protease | B | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2007) 50: 4087-4095 [PMID:17663539] |
Zinc finger protein GLI1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5461] [UniProtKB: P08151] | ||||||||
ChEMBL | Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay | B | 4.49 | pIC50 | 32000 | nM | IC50 | Bioorg Med Chem (2008) 16: 9420-9424 [PMID:18842418] |
ChEMBL | Inhibition of Gli1-mediated transcription expressed in human PANC1 cells | B | 4.49 | pIC50 | 32000 | nM | IC50 | J Med Chem (2009) 52: 3829-3845 [PMID:19309080] |
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]