berberine [Ligand Id: 11353] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL295124 (Berbericine, Berberin, Berberine, Berberone, Majarine, Thalsine, Umbellatin, Umbellatine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275] | ||||||||
| ChEMBL | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometric analysis | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem (2017) 25: 3964-3970 [PMID:28576634] |
| ChEMBL | Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method | B | 6.43 | pIC50 | 374 | nM | IC50 | Eur J Med Chem (2011) 46: 5885-5893 [PMID:22019228] |
| ChEMBL | Inhibition of electric eel AChE using acetylcholine as substrate by Ellman's method | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem (2012) 20: 3038-3048 [PMID:22472046] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of AChE (unknown origin) | B | 5.88 | pIC50 | 1330 | nM | IC50 | Eur J Med Chem (2021) 221: 113492-113492 [PMID:33984802] |
| ChEMBL | Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by Ellman's method | B | 6.15 | pIC50 | 700 | nM | IC50 | J Nat Prod (2019) 82: 239-248 [PMID:30701972] |
| ChEMBL | Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method | B | 7 | pIC50 | 100 | nM | IC50 | Bioorg Med Chem (2015) 23: 3126-3134 [PMID:26003344] |
| Aldo-keto reductase family 1 member C2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5847] [UniProtKB: P52895] | ||||||||
| ChEMBL | Inhibition of N-terminal GST-tagged recombinant human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as reduction in NADPH production using S-tetralol as substrate in presence of NADP+ by fluorimetry assay | B | 5.17 | pIC50 | 6710 | nM | IC50 | Medchemcomm (2019) 10: 1476-1480 [PMID:31673310] |
| AKR1C3/Aldo-keto-reductase family 1 member C3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4681] [GtoPdb: 1382] [UniProtKB: P42330] | ||||||||
| ChEMBL | Inhibition of N-terminal GST-tagged recombinant human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as reduction in NADPH production using S-tetralol as substrate in presence of NADP+ by fluorimetry assay | B | 5.23 | pIC50 | 5900 | nM | IC50 | Medchemcomm (2019) 10: 1476-1480 [PMID:31673310] |
| ChEMBL | Inhibition of N-terminal His-tagged human AKR1C3 (1 to 323 residues) expressed in Escherichia coli using 4-adione as substrate in presence of NADPH by fluorescence method | B | 5.39 | pIC50 | 4080 | nM | IC50 | J Med Chem (2020) 63: 11305-11329 [PMID:32463235] |
| butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
| ChEMBL | Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by Ellman's method | B | 4.51 | pIC50 | 30700 | nM | IC50 | J Nat Prod (2019) 82: 239-248 [PMID:30701972] |
| ChEMBL | Inhibition of BChE (unknown origin) using butyrylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method | B | 5.96 | pIC50 | 1090 | nM | IC50 | Bioorg Med Chem (2015) 23: 3126-3134 [PMID:26003344] |
| Cell division protein ftsZ in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5096] [UniProtKB: P0A031] | ||||||||
| ChEMBL | Inhibition of Staphylococcus aureus recombinant FTsZ preincubated for 10 mins followed by compound addition measured after 30 mins by Cytophos phosphate assay | B | 5 | pIC50 | 10000 | nM | IC50 | Eur J Med Chem (2020) 190: 112132-112132 [PMID:32066012] |
| Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
| ChEMBL | Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method | B | 4.74 | pIC50 | 18200 | nM | IC50 | Eur J Med Chem (2011) 46: 5885-5893 [PMID:22019228] |
| ChEMBL | Inhibition of equine serum BuChE using butyrylcholine as substrate by Ellman's method | B | 4.74 | pIC50 | 18200 | nM | IC50 | Bioorg Med Chem (2012) 20: 3038-3048 [PMID:22472046] |
| ChEMBL | Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by spectrophotometric analysis | B | 5.03 | pIC50 | 9400 | nM | IC50 | Bioorg Med Chem (2017) 25: 3964-3970 [PMID:28576634] |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 4-estradiol as substrate in presence of NADP+ by Michaelis-Menten plot analysis | B | 7.36 | pKi | 44 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| GtoPdb | - | - | 7.36 | pKi | 44 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| ChEMBL | Inhibition of CYP1B1 in human HepG2 cells | B | 5.6 | pIC50 | 2500 | nM | IC50 | Eur J Med Chem (2019) 163: 28-36 [PMID:30503941] |
| ChEMBL | Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 4-estradiol as substrate in presence of NADP+ by HPLC analysis | B | 6.48 | pIC50 | 330 | nM | IC50 | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| ChEMBL | Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha cell membranes coexpressing human NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate by EROD assay | B | 7.03 | pIC50 | 94 | nM | IC50 | Eur J Med Chem (2019) 163: 28-36 [PMID:30503941] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG | B | 4.18 | pIC50 | 66069.34 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| Interleukin-8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2157] [UniProtKB: P10145] | ||||||||
| ChEMBL | Inhibition of human IL-8 by ELISA assay | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (2021) 64: 2382-2418 [PMID:33650861] |
| lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341] | ||||||||
| ChEMBL | Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21 using H3K4me2 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis | B | 5.16 | pIC50 | 6970 | nM | IC50 | Eur J Med Chem (2021) 214: 113254-113254 [PMID:33581557] |
| Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2051] [UniProtKB: P03468] | ||||||||
| ChEMBL | Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins by luminescence based assay | B | 4.84 | pKi | 14300 | nM | Ki | Bioorg Med Chem (2017) 25: 5185-5193 [PMID:28958846] |
| Neuraminidase in Influenza A virus (strain A/USSR/90/1977 H1N1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559643] [UniProtKB: P03469] | ||||||||
| ChEMBL | Inhibition of recombinant Influenza A virus H1N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluorometry | B | 4.41 | pIC50 | 38500 | nM | IC50 | Bioorg Med Chem (2014) 22: 6047-6052 [PMID:25277281] |
| ChEMBL | Inhibition of Influenza A virus H5N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluorometry | B | 4.49 | pIC50 | 32200 | nM | IC50 | Bioorg Med Chem (2014) 22: 6047-6052 [PMID:25277281] |
| Peroxisome proliferator-activated receptor-α/Peroxisome proliferator-activated receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL239] [GtoPdb: 593] [UniProtKB: Q07869] | ||||||||
| ChEMBL | Binding affinity to PPARalpha (unknown origin) | B | 6.14 | pKi | 730 | nM | Ki | Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930] |
| ChEMBL | Agonist activity at PPARalpha (unknown origin) | B | 6.24 | pEC50 | 580 | nM | EC50 | Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930] |
| Peroxisome proliferator-activated receptor-β/δ/Peroxisome proliferator-activated receptor delta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3979] [GtoPdb: 594] [UniProtKB: Q03181] | ||||||||
| ChEMBL | Agonist activity at PPARdelta (unknown origin) | B | 4.85 | pEC50 | 14000 | nM | EC50 | Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930] |
| 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 (1 to 298 residues) (unknown origin) using DifMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence assay | B | 4.17 | pIC50 | 67000 | nM | IC50 | Medchemcomm (2017) 8: 1220-1224 [PMID:30108832] |
| Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746] | ||||||||
| ChEMBL | Inhibition of telomerase | B | 4.43 | pIC50 | 37000 | nM | IC50 | Bioorg Med Chem (2012) 20: 1947-1951 [PMID:22336246] |
| CYP2D6 in Human [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
| GtoPdb | - | - | 5.4 | pIC50 | - | - | - | Pharmaceutics (2020) 12: [PMID:32987920] |
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]
