ASS234 [Ligand Id: 7369] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1929421 |
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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 | Mixed type inhibition of Electrophorus electricus AchE using acetylthiocholine as substrate by Line-Weaver Burk plot analysis | B | 6.83 | pKi | 149 | nM | Ki | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method | B | 6.46 | pIC50 | 350 | nM | IC50 | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method | B | 6.46 | pIC50 | 350 | nM | IC50 | Eur J Med Chem (2014) 75: 82-95 [PMID:24530494] |
| ChEMBL | Inhibition Assay: The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an electric eel as an AChE neuronal model (Electrophorus electricus) and acetylthiocholine iodide (0.35 mM) as substrate. The reaction took place in a final volume of 3 mL of a 0.1 M phosphate buffer solution, pH 8.0, containing 0.035 units of AChE and used a 0.35 mM solution of 5,5'-dithio-bis(2-nitrobenzoic acid) (DTNB) to produce the 5-thio-2-nitrobenzoic acid anion. Inhibition curves were performed in triplicate by incubating at least nine inhibitor concentrations for 10 min. A triplicate sample without inhibitor was always present so as to be aware of 100% of the AChE activity. After this time, the substrate was added to 0.35 mM acetylthiocholine iodide, from a 10 mM stock solution. Loss of color was observed at 412 nm in a spectrophotometric reader having 96 well plates. | B | 6.46 | pIC50 | 350 | nM | IC50 | US-8999994-B2. Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases (2015) |
| ChEMBL | Inhibition of AChE (unknown origin) | B | 6.46 | pIC50 | 350 | nM | IC50 | Eur J Med Chem (2018) 158: 463-477 [PMID:30243151] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins | B | 5.47 | pIC50 | 3400 | nM | IC50 | J Med Chem (2014) 57: 10455-10463 [PMID:25418133] |
| ChEMBL | Inhibition of human AChE | B | 6.09 | pIC50 | 810 | nM | IC50 | Eur J Med Chem (2019) 180: 690-706 [PMID:31401465] |
| ChEMBL | Inhibition of human acetylcholinesterase expressed in HEK 293 cells using acetylthiocholine iodide as substrate by Ellman's method | B | 6.09 | pIC50 | 810 | nM | IC50 | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| ChEMBL | Inhibition of human AChE | B | 6.09 | pIC50 | 810 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126880-126880 [PMID:31864798] |
| ChEMBL | Inhibition of cerebral human recombinant AchE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method | B | 6.42 | pIC50 | 380 | nM | IC50 | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition of AChE (unknown origin) | B | 6.46 | pIC50 | 350 | nM | IC50 | Eur J Med Chem (2019) 176: 228-247 [PMID:31103902] |
| Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
| ChEMBL | Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins | B | 7.24 | pIC50 | 58.2 | nM | IC50 | J Med Chem (2014) 57: 10455-10463 [PMID:25418133] |
| ChEMBL | Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradish peroxidase coupled fluorescence assay | B | 7.48 | pIC50 | 33 | nM | IC50 | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| ChEMBL | Inhibition of human MAO A | B | 8.26 | pIC50 | 5.44 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126880-126880 [PMID:31864798] |
| ChEMBL | Inhibition of human recombinant MAO-A using tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorometric assay | B | 8.38 | pIC50 | 4.2 | nM | IC50 | Eur J Med Chem (2014) 75: 82-95 [PMID:24530494] |
| ChEMBL | Inhibition of human MAOA | B | 9.52 | pIC50 | 0.3 | nM | IC50 | Eur J Med Chem (2019) 180: 690-706 [PMID:31401465] |
| ChEMBL | Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition by Amplex red reagent/horseradish peroxidase coupled fluorescence assay | B | 9.57 | pIC50 | 0.27 | nM | IC50 | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| Amine oxidase [flavin-containing] A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396] | ||||||||
| ChEMBL | Inhibition Assay: The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) using a purification of rat liver mitochondria as the source of enzymes. The inhibitory activity of MAO-B was compared to 25 ul of [14C]-phenylethylamine (PEA), 20 uM of activity, 2.5 mCi/mmol. The inhibitory activity of MAO-A was compared to 25 ul of [14C]-(5-hydroxytriptamine) (5-HT), 100 uM of activity, 0.5 mCi/mmol. Inhibition curves were performed in triplicate by incubating at least nine inhibitor concentrations for 30 min. A triplicate sample without inhibitor was always present so as to be aware of 100% of the MAO activity. The reaction took place with the addition of the substrate in a final volume of 225 ul of 50 mM phosphate buffer, pH 7.4, containing 20 ul of rat liver mitochondria at a concentration of 5 mg/ml. The reaction was carried out under continuous stirring at 37 C. for 4 minutes. | B | 5.28 | pIC50 | 5200 | nM | IC50 | US-8999994-B2. Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases (2015) |
| ChEMBL | Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting | B | 8.28 | pIC50 | 5.2 | nM | IC50 | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition of rat liver mitochondrial MAOA using [14C]-5-HT as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Eur J Med Chem (2018) 158: 463-477 [PMID:30243151] |
| ChEMBL | Inhibition of rat liver mitochondrial MAOA [14C]-5-HT as substrate preincubated for 30 mins followed by substrate addition by liquid scintillation counting analysis | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Eur J Med Chem (2019) 176: 228-247 [PMID:31103902] |
| Monoamine oxidase B/Amine oxidase [flavin-containing] B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
| ChEMBL | Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradish peroxidase coupled fluorescence assay | B | 5.49 | pIC50 | 3200 | nM | IC50 | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| ChEMBL | Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2014) 57: 10455-10463 [PMID:25418133] |
| ChEMBL | Inhibition of human MAO B | B | 6.75 | pIC50 | 177 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126880-126880 [PMID:31864798] |
| ChEMBL | Inhibition of human MAOB | B | 6.92 | pIC50 | 120 | nM | IC50 | Eur J Med Chem (2019) 180: 690-706 [PMID:31401465] |
| ChEMBL | Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition by Amplex red reagent/horseradish peroxidase coupled fluorescence assay | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| ChEMBL | Inhibition of human recombinant MAO-B using tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorometric assay | B | 7.41 | pIC50 | 39 | nM | IC50 | Eur J Med Chem (2014) 75: 82-95 [PMID:24530494] |
| Monoamine oxidase B/Amine oxidase [flavin-containing] B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643] | ||||||||
| ChEMBL | Non-competitive inhibition of rat liver mitochondrial MAO-B using phenylethylamine as substrate by Line-Weaver Burk plot analysis | B | 7.96 | pKi | 11 | nM | Ki | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition Assay: The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) using a purification of rat liver mitochondria as the source of enzymes. The inhibitory activity of MAO-B was compared to 25 ul of [14C]-phenylethylamine (PEA), 20 uM of activity, 2.5 mCi/mmol. The inhibitory activity of MAO-A was compared to 25 ul of [14C]-(5-hydroxytriptamine) (5-HT), 100 uM of activity, 0.5 mCi/mmol. Inhibition curves were performed in triplicate by incubating at least nine inhibitor concentrations for 30 min. A triplicate sample without inhibitor was always present so as to be aware of 100% of the MAO activity. The reaction took place with the addition of the substrate in a final volume of 225 ul of 50 mM phosphate buffer, pH 7.4, containing 20 ul of rat liver mitochondria at a concentration of 5 mg/ml. The reaction was carried out under continuous stirring at 37 C. for 4 minutes. | B | 4.37 | pIC50 | 43100 | nM | IC50 | US-8999994-B2. Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases (2015) |
| ChEMBL | Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting | B | 7.37 | pIC50 | 43 | nM | IC50 | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition of rat liver mitochondrial MAOB using [14C]-PEA as substrate preincubated for 30 mins followed by substrate addition measured after 2 mins by liquid scintillation counting analysis | B | 7.37 | pIC50 | 43 | nM | IC50 | Eur J Med Chem (2018) 158: 463-477 [PMID:30243151] |
| ChEMBL | Inhibition of rat liver mitochondrial MAOB using [14C]-PEA as substrate preincubated for 30 mins followed by substrate addition by liquid scintillation counting analysis | B | 7.37 | pIC50 | 43 | nM | IC50 | Eur J Med Chem (2019) 176: 228-247 [PMID:31103902] |
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of BACE-1 (unknown origin) | B | 6.34 | pIC50 | 460 | nM | IC50 | Eur J Med Chem (2019) 176: 228-247 [PMID:31103902] |
| Butyrylcholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5077] [UniProtKB: Q9N1N9] | ||||||||
| ChEMBL | Inhibition Assay: The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an electric eel as an AChE neuronal model (Electrophorus electricus) and acetylthiocholine iodide (0.35 mM) as substrate. The reaction took place in a final volume of 3 mL of a 0.1 M phosphate buffer solution, pH 8.0, containing 0.035 units of AChE and used a 0.35 mM solution of 5,5'-dithio-bis(2-nitrobenzoic acid) (DTNB) to produce the 5-thio-2-nitrobenzoic acid anion. Inhibition curves were performed in triplicate by incubating at least nine inhibitor concentrations for 10 min. A triplicate sample without inhibitor was always present so as to be aware of 100% of the AChE activity. After this time, the substrate was added to 0.35 mM acetylthiocholine iodide, from a 10 mM stock solution. Loss of color was observed at 412 nm in a spectrophotometric reader having 96 well plates. | B | 6.34 | pIC50 | 460 | nM | IC50 | US-8999994-B2. Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases (2015) |
| butyrylcholinesterase/Cholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
| ChEMBL | Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins | B | 5.48 | pIC50 | 3300 | nM | IC50 | J Med Chem (2014) 57: 10455-10463 [PMID:25418133] |
| ChEMBL | Inhibition of human BChE | B | 5.74 | pIC50 | 1820 | nM | IC50 | Eur J Med Chem (2019) 180: 690-706 [PMID:31401465] |
| ChEMBL | Inhibition of human plasma butyrylcholinesterase by Ellman's method | B | 5.74 | pIC50 | 1820 | nM | IC50 | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| ChEMBL | Inhibition of human BuChE | B | 5.74 | pIC50 | 1820 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126880-126880 [PMID:31864798] |
| ChEMBL | Inhibition of human serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908] | ||||||||
| ChEMBL | Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method | B | 6.34 | pIC50 | 460 | nM | IC50 | J Med Chem (2011) 54: 8251-8270 [PMID:22023459] |
| ChEMBL | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 25 mins by Ellman's method | B | 6.34 | pIC50 | 460 | nM | IC50 | Eur J Med Chem (2014) 75: 82-95 [PMID:24530494] |
| ChEMBL | Inhibition of BuChE (unknown origin) | B | 6.34 | pIC50 | 460 | nM | IC50 | Eur J Med Chem (2018) 158: 463-477 [PMID:30243151] |
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Inhibition of human histamine H3 receptor | B | 7.07 | pKi | 84.2 | nM | Ki | Eur J Med Chem (2019) 180: 690-706 [PMID:31401465] |
| ChEMBL | Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method | B | 7.07 | pKi | 84.2 | nM | Ki | Bioorg Med Chem (2019) 27: 895-930 [PMID:30744931] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | B | 7.3 | pKi | 50.3 | nM | Ki | J Med Chem (2018) 61: 6937-6943 [PMID:29969030] |
| sigma non-opioid intracellular receptor 1/Sigma non-opioid intracellular receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method | B | 8.55 | pKi | 2.83 | nM | Ki | J Med Chem (2018) 61: 6937-6943 [PMID:29969030] |
| Vesicular acetylcholine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2125] [GtoPdb: 1013] [UniProtKB: Q62666] | ||||||||
| ChEMBL | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | B | 8.59 | pKi | 2.58 | nM | Ki | J Med Chem (2018) 61: 6937-6943 [PMID:29969030] |
ChEMBL data shown on this page come from version 36:
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]
