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ChEMBL ligand: CHEMBL8320 |
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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 (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
ChEMBL | Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate | B | 6.02 | pKi | 955 | nM | Ki | J Med Chem (2005) 48: 2906-2915 [PMID:15828829] |
carboxylesterase 1/Acyl coenzyme A:cholesterol acyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2265] [GtoPdb: 2592] [UniProtKB: P23141] | ||||||||
ChEMBL | Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2005) 48: 2906-2915 [PMID:15828829] |
Acyl coenzyme A:cholesterol acyltransferase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2623] [UniProtKB: P12337] | ||||||||
ChEMBL | Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2005) 48: 2906-2915 [PMID:15828829] |
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
ChEMBL | Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate | B | 5.69 | pKi | 2050 | nM | Ki | J Med Chem (2005) 48: 2906-2915 [PMID:15828829] |
carboxylesterase 2/Carboxylesterase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3180] [GtoPdb: 3298] [UniProtKB: O00748] | ||||||||
ChEMBL | Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2005) 48: 2906-2915 [PMID:15828829] |
Caspase 1/Caspase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466] | ||||||||
ChEMBL | Inhibitory activity against IL-1 beta converting enzyme was evaluated. | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 1883-1886 [PMID:9873452] |
Dihydroorotate dehydrogenase (quinone), mitochondrial in Schistosoma mansoni (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523950] [UniProtKB: G4VFD7] | ||||||||
ChEMBL | Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay | B | 5.06 | pIC50 | 8800 | nM | IC50 | Eur J Med Chem (2019) 167: 357-366 [PMID:30776695] |
Dual specificity phosphatase Cdc25B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4804] [UniProtKB: P30305] | ||||||||
ChEMBL | Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102] |
Dual specificity protein phosphatase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5623] [UniProtKB: P28563] | ||||||||
ChEMBL | Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102] |
Dual specificity protein phosphatase 6 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5511] [UniProtKB: Q64346] | ||||||||
ChEMBL | Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3) | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem (2009) 17: 2276-2281 [PMID:19028102] |
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
ChEMBL | Competitive inhibition of human brain mitochondria MAO-A using kynuramine as substrate by Lineweaver-Burk analysis | B | 5.02 | pKi | 9620 | nM | Ki | Eur J Med Chem (2017) 135: 196-203 [PMID:28456030] |
ChEMBL | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy | B | 5.32 | pIC50 | 4820 | nM | IC50 | Eur J Med Chem (2017) 135: 196-203 [PMID:28456030] |
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
ChEMBL | Non-competitive inhibition of human brain mitochondria MAO-B using kynuramine as substrate by Lineweaver-Burk analysis | B | 4.69 | pKi | 20300 | nM | Ki | Eur J Med Chem (2017) 135: 196-203 [PMID:28456030] |
ChEMBL | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy | B | 4.99 | pIC50 | 10200 | nM | IC50 | Eur J Med Chem (2017) 135: 196-203 [PMID:28456030] |
MDM2 proto-oncogene/p53-binding protein Mdm-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987] | ||||||||
ChEMBL | Inhibition of biotin-labelled p53 binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method | B | 4.86 | pIC50 | 13900 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 2571-2574 [PMID:28400230] |
TRPA1 in Human [GtoPdb: 485] [UniProtKB: O75762] | ||||||||
GtoPdb | Calcium imaging | - | 6.4 | pEC50 | - | - | - | Nat Commun (2011) 2: 551 [PMID:22109525] |
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]