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ChEMBL ligand: CHEMBL86537 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Histone deacetylase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5541] [UniProtKB: Q9XYC7] | ||||||||
ChEMBL | Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S2 cells | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2009) 52: 2185-2187 [PMID:19317450] |
histone deacetylase 3/Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111363] [GtoPdb: 2617] [UniProtKB: O15379, Q9Y618] | ||||||||
ChEMBL | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay | B | 4.12 | pKi | >75000 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569] |
ChEMBL | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay | B | 4.12 | pIC50 | >75000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569] |
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
ChEMBL | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay | B | 4.12 | pKi | >75000 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569] |
ChEMBL | Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay | B | 4.12 | pIC50 | >75000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569] |
sirtuin 1/NAD-dependent deacetylase sirtuin 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
ChEMBL | Inhibition of human recombinant SIRT1 by Flour de Lys assay | B | 4.02 | pIC50 | 96200 | nM | IC50 | J Med Chem (2010) 53: 1407-1411 [PMID:20041717] |
GtoPdb | - | - | 4.02 | pIC50 | 96200 | nM | IC50 | J Med Chem (2010) 53: 1407-11 [PMID:20041717] |
NAD-dependent histone deacetylase SIR2 in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3275] [UniProtKB: P06700] | ||||||||
ChEMBL | In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates | B | 4.13 | pIC50 | 74000 | nM | IC50 | J Med Chem (2004) 47: 2635-2644 [PMID:15115404] |
ChEMBL | Inhibition of yeast Sir 2 protein | B | 4.22 | pIC50 | 60000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1351-1357 [PMID:23410798] |
sirtuin 5/NAD-dependent protein deacylase sirtuin-5, mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163183] [GtoPdb: 2711] [UniProtKB: Q9NXA8] | ||||||||
ChEMBL | Inhibition of human SIRT5 assessed as reduction in desuccinylase activity using KQTAR(SuK)STGGKA substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1671-1674 [PMID:25818461] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 by [3H]hypoxanthine uptake | F | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2009) 52: 2185-2187 [PMID:19317450] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as growth inhibition after 24 hrs by measuring incorporation of [3H]-hypoxanthine by liquid scintillation counting method | F | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2017) 60: 4780-4804 [PMID:28241112] |
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]