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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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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] |
Nuclear factor NF-kappa-B p65 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5533] [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] |
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 32:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]