tacedinaline [Ligand Id: 8367] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL235191 (CI-994, GOE 5549, GOE-5549, PD 123654, PD-123654, Tacedinalina, Tacedinaline) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885] | ||||||||
| ChEMBL | Inhibition of BRD4 BD1 (unknown origin) | B | 6.14 | pIC50 | 729 | nM | IC50 | Eur J Med Chem (2021) 222: 113588-113588 [PMID:34107385] |
| ChEMBL | Inhibition of BRD4 BD2 (unknown origin) | B | 7.13 | pIC50 | 74 | nM | IC50 | Eur J Med Chem (2021) 222: 113588-113588 [PMID:34107385] |
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Binding affinity to HDAC1 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant(ki,1) | B | 5.84 | pKi | 1450 | nM | Ki | J Med Chem (2023) 66: 11672-11700 [PMID:37651268] |
| GtoPdb | - | - | 7.3 | pKi | 50 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC1 | B | 7.3 | pKi | 50 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Binding affinity to HDAC1 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant | B | 9 | pKi | ~1 | nM | Ki | J Med Chem (2023) 66: 11672-11700 [PMID:37651268] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) by fluorimetric assay | B | 4.74 | pIC50 | 18220 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 154-159 [PMID:26611919] |
| ChEMBL | Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay | B | 5.78 | pIC50 | 1670 | nM | IC50 | Eur J Med Chem (2019) 176: 195-207 [PMID:31103900] |
| ChEMBL | Inhibition of human recombinant His-tagged HDAC1 (482 residues) expressed in baculovirus infected insect cells using FLUOR DE LYS SIRT1 as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence method | B | 5.78 | pIC50 | 1670 | nM | IC50 | Eur J Med Chem (2019) 173: 185-202 [PMID:31003060] |
| ChEMBL | Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate by fluorometric assay | B | 5.79 | pIC50 | 1620 | nM | IC50 | Eur J Med Chem (2017) 134: 1-12 [PMID:28391133] |
| ChEMBL | Inhibition of human recombinant HDAC1 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay | B | 5.79 | pIC50 | 1620 | nM | IC50 | Eur J Med Chem (2018) 143: 320-333 [PMID:29202397] |
| ChEMBL | Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2017) 60: 7965-7983 [PMID:28885834] |
| ChEMBL | Inhibition of human recombinant full length HDAC1 using fluorogenic substrate 3 after 30 mins by fluorescence assay | B | 5.96 | pIC50 | 1090 | nM | IC50 | J Med Chem (2018) 61: 7245-7260 [PMID:30045621] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) | B | 6.02 | pIC50 | 960 | nM | IC50 | Eur J Med Chem (2021) 222: 113588-113588 [PMID:34107385] |
| ChEMBL | Inhibition of human recombinant HDAC1 | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2007) 50: 5543-5546 [PMID:17941625] |
| GtoPdb | - | - | 6.24 | pIC50 | 570 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 973-8 [PMID:18182289] |
| ChEMBL | Inhibition of HDAC1 | B | 6.24 | pIC50 | 570 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 973-978 [PMID:18182289] |
| ChEMBL | Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay | B | 6.89 | pIC50 | 130 | nM | IC50 | Eur J Med Chem (2020) 208: 112800-112800 [PMID:32971411] |
| ChEMBL | Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate after 3 hrs by fluorescence assay | B | 7.22 | pIC50 | 60 | nM | IC50 | J Med Chem (2017) 60: 7965-7983 [PMID:28885834] |
| ChEMBL | Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence assay | B | 7.39 | pIC50 | 41 | nM | IC50 | Eur J Med Chem (2019) 166: 369-380 [PMID:30735902] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Binding affinity to HDAC2 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant(ki,1) | B | 5.66 | pKi | 2190 | nM | Ki | J Med Chem (2023) 66: 11672-11700 [PMID:37651268] |
| ChEMBL | Inhibition of human HDAC2 | B | 6.72 | pKi | 190 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 6.82 | pKi | 150 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Binding affinity to HDAC2 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant | B | 7.85 | pKi | ~14 | nM | Ki | J Med Chem (2023) 66: 11672-11700 [PMID:37651268] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) by fluorimetric assay | B | 5.41 | pIC50 | 3850 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 154-159 [PMID:26611919] |
| ChEMBL | Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay | B | 5.72 | pIC50 | 1920 | nM | IC50 | Eur J Med Chem (2019) 176: 195-207 [PMID:31103900] |
| ChEMBL | Inhibition of human recombinant His-tagged HDAC2 (1 to 582 residues) expressed in baculovirus infected insect cells using FLUOR DE LYS Green as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence method | B | 5.72 | pIC50 | 1920 | nM | IC50 | Eur J Med Chem (2019) 173: 185-202 [PMID:31003060] |
| ChEMBL | Inhibition of human recombinant HDAC2 using Fluor de Lys green as substrate by fluorometric assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | Eur J Med Chem (2017) 134: 1-12 [PMID:28391133] |
| ChEMBL | Inhibition of human recombinant HDAC2 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | Eur J Med Chem (2018) 143: 320-333 [PMID:29202397] |
| ChEMBL | Inhibition of human recombinant HDAC2 | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2007) 50: 5543-5546 [PMID:17941625] |
| ChEMBL | Inhibition of recombinant human full-length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay | B | 6.08 | pIC50 | 830 | nM | IC50 | Eur J Med Chem (2020) 208: 112800-112800 [PMID:32971411] |
| ChEMBL | Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence assay | B | 6.83 | pIC50 | 147 | nM | IC50 | Eur J Med Chem (2019) 166: 369-380 [PMID:30735902] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Binding affinity to HDAC3 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant(ki,1) | B | 5.45 | pKi | 3560 | nM | Ki | J Med Chem (2023) 66: 11672-11700 [PMID:37651268] |
| ChEMBL | Inhibition of human HDAC3 | B | 6.26 | pKi | 550 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 6.26 | pKi | 550 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Binding affinity to HDAC3 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant | B | 6.98 | pKi | 105 | nM | Ki | J Med Chem (2023) 66: 11672-11700 [PMID:37651268] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) by fluorimetric assay | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 154-159 [PMID:26611919] |
| ChEMBL | Inhibition of human recombinant HDAC3 | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2007) 50: 5543-5546 [PMID:17941625] |
| ChEMBL | Inhibition of recombinant human full length HDAC3 using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence assay | B | 7.34 | pIC50 | 46 | nM | IC50 | Eur J Med Chem (2019) 166: 369-380 [PMID:30735902] |
| histone deacetylase 3/Histone deacetylase 3/NCoR1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038484] [GtoPdb: 2617] [UniProtKB: O15379, O75376] | ||||||||
| GtoPdb | - | - | 6.26 | pKi | 550 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed by substrate addition and and measured after 30 mins by fluorescence based assay | B | 4.49 | pIC50 | >32000 | nM | IC50 | Eur J Med Chem (2019) 176: 195-207 [PMID:31103900] |
| 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] | ||||||||
| GtoPdb | - | - | 6.26 | pKi | 550 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay | B | 6.72 | pIC50 | 190 | nM | IC50 | Eur J Med Chem (2020) 208: 112800-112800 [PMID:32971411] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of HDAC6 (unknown origin) by fluorimetric assay | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 154-159 [PMID:26611919] |
| ChEMBL | Inhibition of human recombinant HDAC6 using Fluor de Lys as substrate after 60 mins by fluorometric assay | B | 4.4 | pIC50 | >40000 | nM | IC50 | Eur J Med Chem (2017) 134: 1-12 [PMID:28391133] |
| ChEMBL | Inhibition of human recombinant HDAC6 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay | B | 4.4 | pIC50 | >40000 | nM | IC50 | Eur J Med Chem (2018) 143: 320-333 [PMID:29202397] |
| ChEMBL | Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus infected insect cells using FLUOR DE LYS SIRT1 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence method | B | 4.4 | pIC50 | >40000 | nM | IC50 | Eur J Med Chem (2019) 173: 185-202 [PMID:31003060] |
| ChEMBL | Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate by measuring decrease in fluorescence preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay | B | 4.49 | pIC50 | >32000 | nM | IC50 | Eur J Med Chem (2019) 176: 195-207 [PMID:31103900] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| ChEMBL | Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay | B | 4.49 | pIC50 | >32000 | nM | IC50 | Eur J Med Chem (2019) 176: 195-207 [PMID:31103900] |
| ChEMBL | Inhibition of human recombinant HDAC8 | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2007) 50: 5543-5546 [PMID:17941625] |
| Nicotinamide phosphoribosyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1744525] [UniProtKB: P43490] | ||||||||
| ChEMBL | Inhibition of human recombinant NAMPT using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluorescence assay | B | 5.7 | pIC50 | >2000 | nM | IC50 | J Med Chem (2017) 60: 7965-7983 [PMID:28885834] |
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]
