betulinic acid [Ligand Id: 3945] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL269277 (ALS-357, .beta.-betulinic acid, Betulic acid, Betulinic acid, Lupatic acid, Mairin, NSC-113090, NSC-677578)
Created with Highcharts 10.3.3ValuesChart context menu5`-nucleotidasepKd HumanpKi HumanpIC50 HumanpEC50 HumanpKd MousepKi MousepIC50 MousepEC50 Mouse0123456Highcharts.com
  • Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
Created with Highcharts 10.3.3ValuesChart context menuAldo-keto reductase family 1 member B10pKd HumanpKi HumanpIC50 HumanpEC50 Human0123456Highcharts.com
  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
Created with Highcharts 10.3.3ValuesChart context menuAldose reductasepKd HumanpKi HumanpIC50 HumanpEC50 Human0123456Highcharts.com
  • Botulinum neurotoxin type A in Clostridium botulinum [ChEMBL: CHEMBL5192] [UniProtKB: P0DPI0]
Created with Highcharts 10.3.3ValuesChart context menuBotulinum neurotoxin type ApKd Clostridium botulinumpKi Clostridium botulinumpIC50 Clostridium botulinumpEC50 Clostridium botulinum0123456Highcharts.com
  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
Created with Highcharts 10.3.3ValuesChart context menuDipeptidyl peptidase IVpKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuDNA polymerase betapKd HumanpKi HumanpIC50 HumanpEC50 HumanpKd RatpKi RatpIC50 RatpEC50 Rat0123456Highcharts.com
  • Glycogen phosphorylase, muscle form in Rabbit [ChEMBL: CHEMBL4696] [UniProtKB: P00489]
Created with Highcharts 10.3.3ValuesChart context menuGlycogen phosphorylase, muscle formpKd RabbitpKi RabbitpIC50 RabbitpEC50 Rabbit012345Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuGP41pKd Human immunodeficiency virus 1pKi Human immunodeficiency virus 1pIC50 Human immunodeficiency virus 1pEC50 Human immunodeficiency virus 1012345Highcharts.com
  • GPBA receptor/G-protein coupled bile acid receptor 1 in Human [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
Created with Highcharts 10.3.3ValuesChart context menuG-protein coupled bile acid receptor 1pKd HumanpKi HumanpIC50 HumanpEC50 Human01234567Highcharts.com
  • Liver X receptor-α/LXR-alpha in Human [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133]
Created with Highcharts 10.3.3ValuesChart context menuLXR-alphapKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
  • Liver X receptor-β/LXR-beta in Human [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055]
Created with Highcharts 10.3.3ValuesChart context menuLXR-betapKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuNonstructural protein 5pKd Dengue viruspKi Dengue viruspIC50 Dengue viruspEC50 Dengue virus01234567Highcharts.com
  • RELA proto-oncogene, NF-kB subunit/Nuclear factor NF-kappa-B p65 subunit in Human [ChEMBL: CHEMBL5533] [GtoPdb: 3280] [UniProtKB: Q04206]
Created with Highcharts 10.3.3ValuesChart context menuNuclear factor NF-kappa-B p65 subunitpKd HumanpKi HumanpIC50 HumanpEC50 Human0123456Highcharts.com
  • Peroxisome proliferator-activated receptor-Îł/Peroxisome proliferator-activated receptor gamma in Mouse [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238]
Created with Highcharts 10.3.3ValuesChart context menuPeroxisome proliferator-activated receptor gammapKd MousepKi MousepIC50 MousepEC50 Mouse012345Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuPlasmodium falciparumpKd Plasmodium falciparumpKi Plasmodium falciparumpIC50 Plasmodium falciparumpEC50 Plasmodium falciparum01234567Highcharts.com
  • protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
Created with Highcharts 10.3.3ValuesChart context menuProtein-tyrosine phosphatase 1BpKd HumanpKi HumanpIC50 HumanpEC50 Human01234567Highcharts.com
  • CoV 3C-like (main) protease/CoV Replicase polyprotein 1a/SARS coronavirus 3C-like proteinase in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL3927] [GtoPdb: 3111, 3124] [UniProtKB: P0C6U8]
Created with Highcharts 10.3.3ValuesChart context menuSARS coronavirus 3C-like proteinasepKd Severe acute respiratory syndrome-related​coronaviruspKi Severe acute respiratory syndrome-related​coronaviruspIC50 Severe acute respiratory syndrome-related​coronaviruspEC50 Severe acute respiratory syndrome-related​coronavirus0123456Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuZinc finger protein GLI1pKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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-Îł/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 35:

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]