TMP269 [Ligand Id: 7491] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3110004 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Inhibition of human HDAC1 using p53 (379 to 382 residues) (RHKKAc) as substrate measured after 2 hrs by cheng-Prusoff analysis | B | 4.64 | pKi | >23000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate | B | 7 | pIC50 | >100 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Inhibition of human HDAC11 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 4.72 | pKi | >19000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC11 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| ChEMBL | Inhibition of recombinant HDAC11 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate | B | 7 | pIC50 | >100 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Inhibition of human HDAC2 using p53 (379 to 382 residues) (RHKKAc) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 4.72 | pKi | >19000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| ChEMBL | Inhibition of recombinant HDAC2 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate | B | 7 | pIC50 | >100 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Inhibition of HDAC3 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay | B | 4.37 | pIC50 | >43000 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| ChEMBL | Inhibition of recombinant HDAC3 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate | B | 7 | pIC50 | >100 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| 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 | Inhibition of human HDAC3/NcoR2 using p53 residues 379-382 (RHKKAc) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 4.37 | pKi | >43000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| ChEMBL | Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay | B | 5.75 | pKi | 1770 | nM | Ki | Bioorg Med Chem (2019) 27: 115036-115036 [PMID:31431326] |
| ChEMBL | Inhibition of human HDAC4 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 6.9 | pKi | 126 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in Sf9 insect cells using Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by microplate reader analysis | B | 6.12 | pIC50 | 753 | nM | IC50 | J Med Chem (2023) 66: 13821-13837 [PMID:37782298] |
| ChEMBL | Enzyme Assay: The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were compared against HDAC types 1-11. Both were tested in singlicate 10-dose IC50 mode with 3-fold serial dilution starting at 10 μM against 11 HDACs. | B | 6.42 | pIC50 | 376 | nM | IC50 | US-10722597-B2. Cyclodextrin-panobinostat adduct (2020) |
| ChEMBL | Inhibition of HDAC4 (unknown origin) using fluorogenic substrate after 1 to 2 hrs by fluorescence assay | B | 6.45 | pIC50 | 353 | nM | IC50 | Eur J Med Chem (2018) 143: 2005-2014 [PMID:29150335] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) using trypsin and Ac-peptide as substrates | B | 6.5 | pIC50 | 317.67 | nM | IC50 | Eur J Med Chem (2022) 230: 114115-114115 [PMID:35033824] |
| ChEMBL | Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Eur J Med Chem (2019) 161: 277-291 [PMID:30366254] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 expressed in baculovirus infected insect cells using fluorogenic HDAC class2a as substrate measured after 1 to 2 hrs by fluorescence assay | B | 6.61 | pIC50 | 244 | nM | IC50 | J Med Chem (2020) 63: 4256-4292 [PMID:32212730] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) using boc-(trifluoroacetyl)lysineAMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescent based assay | B | 6.62 | pIC50 | 240 | nM | IC50 | Eur J Med Chem (2023) 260: 115759-115759 [PMID:37659198] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) | B | 6.74 | pIC50 | 180 | nM | IC50 | Eur J Med Chem (2021) 225: 113790-113790 [PMID:34454126] |
| GtoPdb | - | - | 6.8 | pIC50 | 157 | nM | IC50 | Nat Chem Biol (2013) 9: 319-25 [PMID:23524983] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) | B | 6.8 | pIC50 | 157 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) using Boc-Lys-(Tfa)-AMC as substrate | B | 6.8 | pIC50 | 157 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubated for 60 mins by fluorescence assay | B | 6.87 | pIC50 | 134.4 | nM | IC50 | Eur J Med Chem (2016) 116: 126-135 [PMID:27060764] |
| ChEMBL | Inhibition of human recombinant HDAC4 catalytic domain using Boc_Lys_TFA as substrate after 60 mins by fluorescence assay | B | 6.89 | pIC50 | 130 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| ChEMBL | Inhibition of recombinant human HDAC4 using fluorogenic substrate by fluorescence assay | B | 6.9 | pIC50 | 127 | nM | IC50 | Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544] |
| ChEMBL | Inhibition of recombinant HDAC4 (unknown origin) using trifluoroacetyl lysine as substrate | B | 7.89 | pIC50 | 13 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of human HDAC5 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 7.1 | pKi | 80 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of C-terminal His-tagged human HDAC5 (656-1122 residues) expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mins by fluorescence based assay | B | 6 | pIC50 | 990 | nM | IC50 | Eur J Med Chem (2017) 140: 392-402 [PMID:28987602] |
| ChEMBL | Enzyme Assay: The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were compared against HDAC types 1-11. Both were tested in singlicate 10-dose IC50 mode with 3-fold serial dilution starting at 10 μM against 11 HDACs. | B | 6.45 | pIC50 | 354 | nM | IC50 | US-10722597-B2. Cyclodextrin-panobinostat adduct (2020) |
| ChEMBL | Inhibition of recombinant human C-terminal His-fusion tagged HDAC5 (657 to 1123 residues) expressed in baculovirus infected insect cells using fluorogenic HDAC class2a as substrate measured after 1 to 2 hrs by fluorescence assay | B | 6.48 | pIC50 | 333 | nM | IC50 | J Med Chem (2020) 63: 4256-4292 [PMID:32212730] |
| ChEMBL | Inhibition of recombinant human HDAC5 using fluorogenic substrate by fluorescence assay | B | 6.58 | pIC50 | 263 | nM | IC50 | Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544] |
| ChEMBL | Inhibition of recombinant HDAC5 (unknown origin) using trifluoroacetyl lysine as substrate | B | 6.72 | pIC50 | 191 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| ChEMBL | Inhibition of HDAC5 (unknown origin) | B | 6.96 | pIC50 | 110 | nM | IC50 | Eur J Med Chem (2021) 225: 113790-113790 [PMID:34454126] |
| ChEMBL | Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubated for 60 mins by fluorescence assay | B | 6.96 | pIC50 | 108.4 | nM | IC50 | Eur J Med Chem (2016) 116: 126-135 [PMID:27060764] |
| GtoPdb | - | - | 7.01 | pIC50 | 97 | nM | IC50 | Nat Chem Biol (2013) 9: 319-25 [PMID:23524983] |
| ChEMBL | Inhibition of HDAC5 (unknown origin) using Boc-Lys-(Tfa)-AMC as substrate | B | 7.01 | pIC50 | 97 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Inhibition of human recombinant HDAC5 catalytic domain using Boc_Lys_TFA as substrate after 60 mins by fluorescence assay | B | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 7.18 | pIC50 | 65.7 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of human HDAC6 using p53 residues 379-382 (RHKKAc) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of recombinant HDAC6 (unknown origin) using RHKK-Ac-AMC as substrate | B | 4.28 | pIC50 | 52100 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| ChEMBL | Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate | B | 5.09 | pIC50 | 8200 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Inhibition of recombinant HDAC6 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate | B | 5.09 | pIC50 | 8200 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| ChEMBL | Inhibition of human recombinant full length HDAC6 after 60 mins by fluorescence assay | B | 5.64 | pIC50 | 2300 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) | B | 6.05 | pIC50 | 890 | nM | IC50 | Eur J Med Chem (2021) 225: 113790-113790 [PMID:34454126] |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| ChEMBL | Inhibition of human HDAC7 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 7.44 | pKi | 36 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Enzyme Assay: The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were compared against HDAC types 1-11. Both were tested in singlicate 10-dose IC50 mode with 3-fold serial dilution starting at 10 μM against 11 HDACs. | B | 6.82 | pIC50 | 153 | nM | IC50 | US-10722597-B2. Cyclodextrin-panobinostat adduct (2020) |
| ChEMBL | Inhibition of recombinant human HDAC7 using fluorogenic substrate by fluorescence assay | B | 6.95 | pIC50 | 112 | nM | IC50 | Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in baculovirus infected insect cells using fluorogenic HDAC class2a as substrate measured after 1 to 2 hrs by fluorescence assay | B | 6.97 | pIC50 | 108 | nM | IC50 | J Med Chem (2020) 63: 4256-4292 [PMID:32212730] |
| ChEMBL | Inhibition of HDAC7 (unknown origin) using boc-(trifluoroacetyl)lysineAMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescent based assay | B | 7.18 | pIC50 | 66.6 | nM | IC50 | Eur J Med Chem (2023) 260: 115759-115759 [PMID:37659198] |
| ChEMBL | Inhibition of HDAC7 (unknown origin) | B | 7.22 | pIC50 | 60 | nM | IC50 | Eur J Med Chem (2021) 225: 113790-113790 [PMID:34454126] |
| ChEMBL | Inhibition of recombinant HDAC7 (unknown origin) using trifluoroacetyl lysine as substrate | B | 7.36 | pIC50 | 44 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| ChEMBL | Inhibition of HDAC7 (unknown origin) using Boc-Lys-(Tfa)-AMC as substrate | B | 7.37 | pIC50 | 43 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| GtoPdb | - | - | 7.37 | pIC50 | 43 | nM | IC50 | Nat Chem Biol (2013) 9: 319-25 [PMID:23524983] |
| ChEMBL | Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubated for 60 mins by fluorescence assay | B | 7.39 | pIC50 | 40.85 | nM | IC50 | Eur J Med Chem (2016) 116: 126-135 [PMID:27060764] |
| ChEMBL | Inhibition of human recombinant HDAC7 catalytic domain using Boc_Lys_TFA as substrate after 60 mins by fluorescence assay | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| ChEMBL | Inhibition of human HDAC8 using p53 residues 379-382 (RHKAcKAc) as substrate as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 5.4 | pKi | 4000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| ChEMBL | Inhibition of HDAC8 (unknown origin) using Arg-His-Lys(Ac)-Lys(Ac) as substrate | B | 5.38 | pIC50 | 4200 | nM | IC50 | Eur J Med Chem (2024) 263: 115907-115907 [PMID:37979441] |
| ChEMBL | Inhibition of recombinant HDAC8 (unknown origin) using (Arg-HisLys(Ac)-Lys(Ac)) as substrate | B | 5.38 | pIC50 | 4200 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| ChEMBL | Inhibition of human recombinant full length HDAC8 using Boc_Lys_TFA as substrate after 60 mins by fluorescence assay | B | 5.44 | pIC50 | 3600 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| ChEMBL | Inhibition of human HDAC9 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis | B | 7.72 | pKi | 19 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC9 (unknown origin) using fluorogenic HDAC class 2a as substrate measured after 1 to 2 hrs by fluorescence assay | B | 7.31 | pIC50 | 49 | nM | IC50 | J Med Chem (2020) 63: 4256-4292 [PMID:32212730] |
| ChEMBL | Enzyme Assay: The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-β-CD panobinostat adduct (prepared as described in Example 1) were compared against HDAC types 1-11. Both were tested in singlicate 10-dose IC50 mode with 3-fold serial dilution starting at 10 μM against 11 HDACs. | B | 7.36 | pIC50 | 43.3 | nM | IC50 | US-10722597-B2. Cyclodextrin-panobinostat adduct (2020) |
| ChEMBL | Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate | B | 7.63 | pIC50 | 23.24 | nM | IC50 | Eur J Med Chem (2016) 116: 126-135 [PMID:27060764] |
| GtoPdb | - | - | 7.64 | pIC50 | 23 | nM | IC50 | Nat Chem Biol (2013) 9: 319-25 [PMID:23524983] |
| ChEMBL | Inhibition of human recombinant HDAC9 catalytic domain using Boc_Lys_TFA as substrate after 60 mins by fluorescence assay | B | 7.7 | pIC50 | 20 | nM | IC50 | J Med Chem (2013) 56: 9934-9954 [PMID:24261862] |
| ChEMBL | Inhibition of recombinant human HDAC9 using fluorogenic substrate by fluorescence assay | B | 7.71 | pIC50 | 19.4 | nM | IC50 | Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544] |
| ChEMBL | Inhibition of recombinant HDAC9 (unknown origin) using trifluoroacetyl lysine as substrate | B | 7.77 | pIC50 | 17 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
| ChEMBL | Inhibition of HDAC9 (unknown origin) | B | 8 | pIC50 | 10 | nM | IC50 | Eur J Med Chem (2021) 225: 113790-113790 [PMID:34454126] |
| histone deacetylase 10/Polyamine deacetylase HDAC10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8] | ||||||||
| ChEMBL | Inhibition of HDAC10 (unknown origin) | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Biochemical Assay: I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 μM of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. | B | 5 | pIC50 | >10000 | nM | IC50 | US-10011611-B2. Histone deacetylase inhibitors and methods for use thereof (2018) |
| ChEMBL | Inhibition of HDAC10 (unknown origin) | B | 6.68 | pIC50 | 210 | nM | IC50 | Eur J Med Chem (2021) 225: 113790-113790 [PMID:34454126] |
| ChEMBL | Inhibition of recombinant HDAC10 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate | B | 7 | pIC50 | >100 | nM | IC50 | Eur J Med Chem (2023) 260: 115730-115730 [PMID:37633202] |
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]
