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ChEMBL ligand: CHEMBL12089 (Berberine chloride, Berberine hydrochloride, Berberinum, GNF-Pf-4545, NSC-163088, NSC-646666) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275] | ||||||||
ChEMBL | Inhibition of electric eel AChE by enzyme kinetics assay | B | 6.54 | pKi | 289 | nM | Ki | Bioorg Med Chem (2010) 18: 1244-1251 [PMID:20056426] |
ChEMBL | Inhibition of electric eel AChE by Ellman's method | B | 5.56 | pIC50 | 2740 | nM | IC50 | Bioorg Med Chem (2012) 20: 6669-6679 [PMID:23062825] |
ChEMBL | Inhibition of electric eel AChE by Ellman's assay | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem (2010) 18: 4475-4484 [PMID:20471843] |
ChEMBL | Inhibition of electric eel AChE after 15 mins by Ellman's method using acetylcholine as substrate | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 6649-6652 [PMID:20880702] |
ChEMBL | Inhibition of electric eel AChE by modified Ellman method | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem (2010) 18: 1244-1251 [PMID:20056426] |
ChEMBL | Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem (2011) 19: 7228-7235 [PMID:22041172] |
ChEMBL | Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins prior to substrate addition by Ellman's method | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem (2013) 21: 5830-5840 [PMID:23932451] |
ChEMBL | Inhibition of electric eel Acetylcholinesterase | B | 6.43 | pIC50 | 374 | nM | IC50 | Bioorg Med Chem (2011) 19: 2298-2305 [PMID:21397508] |
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
ChEMBL | Inhibition of recombinant human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured at 2 mins interval by Ellman's method | B | 4.76 | pIC50 | 17400 | nM | IC50 | Eur J Med Chem (2020) 203: 112593-112593 [PMID:32688201] |
ChEMBL | DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) | B | 6.11 | pIC50 | 774 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Inhibition of human AChE by Ellman's method | B | 6.21 | pIC50 | 610 | nM | IC50 | Bioorg Med Chem (2012) 20: 6669-6679 [PMID:23062825] |
ChEMBL | Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay | B | 7.4 | pIC50 | 40 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6603-6607 [PMID:21924611] |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 6.56 | pKi | 274 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 6.22 | pIC50 | 601 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 6.39 | pKi | 412 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 5.55 | pIC50 | 2837 | nM | IC50 | DrugMatrix in vitro pharmacology data |
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
ChEMBL | Inhibition of human butyrylcholinesterase in plasma using butyrylthiocholineiodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured at 2 mins interval by Ellman's method | B | 4.33 | pIC50 | 47200 | nM | IC50 | Eur J Med Chem (2020) 203: 112593-112593 [PMID:32688201] |
ChEMBL | Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay | B | 4.72 | pIC50 | 18970 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6603-6607 [PMID:21924611] |
Butyrylcholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5077] [UniProtKB: Q9N1N9] | ||||||||
ChEMBL | Inhibition of equine BChE after 15 mins by Ellman's method using acetylcholine as substrate | B | 4.74 | pIC50 | 18200 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 6649-6652 [PMID:20880702] |
ChEMBL | Inhibition of equine serum Butyrylcholinesterase | B | 4.74 | pIC50 | 18200 | nM | IC50 | Bioorg Med Chem (2011) 19: 2298-2305 [PMID:21397508] |
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 | Bioorg Med Chem (2011) 19: 7228-7235 [PMID:22041172] |
Cell division protein ftsZ in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3999] [UniProtKB: P0A9A6] | ||||||||
ChEMBL | Displacement of bis-ANS from Escherichia coli FtsZ | B | 7.64 | pKd | 23 | nM | Kd | J Med Chem (2016) 59: 6975-6998 [PMID:26756351] |
ChEMBL | Inhibition of recombinant Escherichia coli K12 FtsZ GTPase activity by malachite green sodium molybdate assay | B | 4.8 | pIC50 | 16000 | nM | IC50 | Bioorg Med Chem (2016) 24: 6354-6369 [PMID:27189886] |
ChEMBL | Inhibition of recombinant Escherichia coli K12 FtsZ assembly by light-scattering assay | B | 5 | pIC50 | 10000 | nM | IC50 | Bioorg Med Chem (2016) 24: 6354-6369 [PMID:27189886] |
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
ChEMBL | Inhibition of horse serum BChE by enzyme kinetics assay | B | 5.04 | pKi | 9200 | nM | Ki | Bioorg Med Chem (2010) 18: 1244-1251 [PMID:20056426] |
ChEMBL | Inhibition of equine serum BChE using butylthiocholine chloride as substrate preincubated for 15 mins prior to substrate addition by Ellman's method | B | 4.74 | pIC50 | 18210 | nM | IC50 | Bioorg Med Chem (2013) 21: 5830-5840 [PMID:23932451] |
ChEMBL | Inhibition of horse serum BChE by Ellman's method | B | 4.74 | pIC50 | 18200 | nM | IC50 | Bioorg Med Chem (2010) 18: 1244-1251 [PMID:20056426] |
ChEMBL | Inhibition of equine serum BuChE by Ellman's method | B | 4.74 | pIC50 | 18200 | nM | IC50 | Bioorg Med Chem (2010) 18: 4475-4484 [PMID:20471843] |
CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.35 | pIC50 | 4504.2 | nM | IC50 | DrugMatrix in vitro pharmacology data |
GtoPdb | - | - | 5.4 | pIC50 | - | - | - | Pharmaceutics (2020) 12: [PMID:32987920] |
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
ChEMBL | Inhibition of human ERG by patch clamp assay | B | 5.51 | pIC50 | 3100 | nM | IC50 | Eur J Med Chem (2017) 140: 448-464 [PMID:28987606] |
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
ChEMBL | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 6.13 | pKi | 742 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 5.51 | pIC50 | 3080 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NAD(+) hydrolase SARM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523350] [UniProtKB: Q6SZW1] | ||||||||
ChEMBL | Inhibition of recombinant human SARM1 SAM1-2-TIR domains (412 to 724 residues) expressed in Expi293 cells lysates using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 1 hr | B | 4.11 | pIC50 | 77000 | nM | IC50 | Bioorg Med Chem (2020) 28: 115644-115644 [PMID:32828421] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | F | 6.35 | pEC50 | 442 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | F | 6.66 | pEC50 | 218 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
Plasmodium falciparum (isolate K1 / Thailand) in Plasmodium falciparum K1 (target type: ORGANISM) [ChEMBL: CHEMBL612856] | ||||||||
ChEMBL | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in erythrocytes by [3H]hypoxanthine uptake | F | 6.01 | pIC50 | 968 | nM | IC50 | J Nat Prod (2000) 63: 1638-1640 [PMID:11141105] |
Plasmodium yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612889] | ||||||||
ChEMBL | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration | F | 6.26 | pIC50 | 548 | nM | IC50 | Science (2011) 334: 1372-1377 [PMID:22096101] |
Retinoid X receptor-α/Retinoid X receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2061] [GtoPdb: 610] [UniProtKB: P19793] | ||||||||
ChEMBL | Binding affinity to His-tagged RXRalpha LBD (unknown origin) expressed in Escherichia coli strain BL21 (DE3) by fluorescence quenching analysis | B | 4.61 | pKd | 24800 | nM | Kd | J Med Chem (2020) 63: 5841-5855 [PMID:32391701] |
NIMA related kinase 7/Serine/threonine-protein kinase NEK7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4849] [GtoPdb: 2122] [UniProtKB: Q8TDX7] | ||||||||
ChEMBL | Binding affinity to purified recombinant human NEK7 by SPR analysis | B | 4.81 | pKd | 15600 | nM | Kd | J Med Chem (2021) 64: 768-781 [PMID:33440945] |
ChEMBL | Inhibition of purified recombinant human NEK7 incubated for 15 mins before ATP and substrate addition and further incubated for 40 mins by ADPGlo kinase assay | B | 5.38 | pIC50 | 4200 | nM | IC50 | J Med Chem (2021) 64: 768-781 [PMID:33440945] |
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.66 | pKi | 2187 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.46 | pIC50 | 3437 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Serotonin 4 (5-HT4) receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5017] [UniProtKB: O70528] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | B | 6.43 | pKi | 370 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | B | 5.65 | pIC50 | 2222 | nM | IC50 | DrugMatrix in vitro pharmacology data |
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.27 | pKi | 542 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 5.89 | pIC50 | 1289 | nM | IC50 | DrugMatrix in vitro pharmacology data |
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]