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 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] |
| 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/Butyrylcholinesterase 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] |
| Monoamine oxidase 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] |
| Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396] | ||||||||
| 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 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 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 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] |
| 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 opioid receptor 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 33:
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]
