entinostat [Ligand Id: 7007] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL27759 (Entinostat, MS-27-275, MS-275, MS-275-27, SNDX-275) |
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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 His-tagged BRD4 bromodomain 1 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265] |
| ChEMBL | Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265] |
| coagulation factor III, tissue factor/Coagulation factor III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726] | ||||||||
| ChEMBL | Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotting assay | B | 5 | pIC50 | 10000 | nM | IC50 | J Biol Chem (2007) 282: 28408-28418 [PMID:17675290] |
| ChEMBL | Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay | B | 5.22 | pIC50 | 6000 | nM | IC50 | J Biol Chem (2007) 282: 28408-28418 [PMID:17675290] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by automated patch clamp assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496] |
| ChEMBL | Inhibition of human ERG by automated Q-patch assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2011) 54: 4752-4772 [PMID:21650221] |
| 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 | 6.03 | pIC50 | 940 | nM | IC50 | J Med Chem (2009) 52: 2185-2187 [PMID:19317450] |
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Inhibition of human HDAC1 | B | 7.66 | pKi | 22 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 7.66 | pKi | 22 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | HDAC enzyme inhibitionAssay: HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48 and Perez-Balado et al., 2007, J. Med. Chem., 50:2497-2505. Inhibition assays using nuclear extract were performed essentially as described in Herman et al., 2006, Nat. Chem. Biol., 2:551-558. Briefly, the purified HDACs or nuclear extract were incubated with an acetylated substrate in the absence of the compound to be assayed and with increasing concentrations of the compound. The rate of substrate deacetylation was measured under each condition, and half-maximal inhibitory concentration with regard to each HDAC was determined by standard means. | B | 5.49 | pIC50 | 3200 | nM | IC50 | US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016) |
| ChEMBL | Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2003) 46: 820-830 [PMID:12593661] |
| ChEMBL | Inhibition of KDAC1 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method | B | 5.83 | pIC50 | 1480 | nM | IC50 | J Med Chem (2016) 59: 1613-1633 [PMID:26681404] |
| ChEMBL | Inhibition of human FLAG-tagged HDAC1 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection based assay | B | 5.97 | pIC50 | 1070 | nM | IC50 | Eur J Med Chem (2018) 144: 612-625 [PMID:29289885] |
| ChEMBL | Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1). | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 283-287 [PMID:14684344] |
| ChEMBL | Inhibition of human HDAC1 | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of HDAC1 | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 110-116 [PMID:21145737] |
| ChEMBL | Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay | B | 6.26 | pIC50 | 544 | nM | IC50 | Eur J Med Chem (2019) 162: 612-630 [PMID:30476825] |
| ChEMBL | Inhibition of human recombinant HDAC1 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 6.26 | pIC50 | 544 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay | B | 6.26 | pIC50 | 544 | nM | IC50 | Eur J Med Chem (2021) 215: 113169-113169 [PMID:33588178] |
| ChEMBL | Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay | B | 6.27 | pIC50 | 540 | nM | IC50 | Eur J Med Chem (2020) 192: 112158-112158 [PMID:32171161] |
| ChEMBL | Inhibition of human recombinant HDAC1 | B | 6.27 | pIC50 | 540 | nM | IC50 | J Med Chem (2007) 50: 5543-5546 [PMID:17941625] |
| ChEMBL | Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate incubated for 90 mins by fluorescence assay | B | 6.28 | pIC50 | 519 | nM | IC50 | J Med Chem (2019) 62: 11260-11279 [PMID:31762274] |
| ChEMBL | Inhibition of HADC1 (unknown origin) | B | 6.29 | pIC50 | 510 | nM | IC50 | J Med Chem (2020) 63: 23-39 [PMID:31415174] |
| ChEMBL | Inhibition of HDAC1 using Fluor de Lys as substrate by fluorescence analysis | B | 6.3 | pIC50 | 500 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| ChEMBL | Inhibition of HDAC1 | B | 6.3 | pIC50 | 500 | nM | IC50 | Bioorg Med Chem (2010) 18: 3925-3933 [PMID:20452226] |
| ChEMBL | Inhibition of purified recombinant HDAC1 | B | 6.31 | pIC50 | 485 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496] |
| ChEMBL | Inhibition of HDAC1 | B | 6.32 | pIC50 | 480 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1926-1930 [PMID:22321215] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fluorescence assay | B | 6.39 | pIC50 | 410 | nM | IC50 | Eur J Med Chem (2017) 132: 42-62 [PMID:28340413] |
| ChEMBL | Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release assay | B | 6.41 | pIC50 | 390 | nM | IC50 | Eur J Med Chem (2015) 96: 1-13 [PMID:25874326] |
| ChEMBL | Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay | B | 6.41 | pIC50 | 390 | nM | IC50 | Bioorg Med Chem (2015) 23: 3457-3471 [PMID:25953722] |
| ChEMBL | Inhibition of HDAC1 | B | 6.43 | pIC50 | 368 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| 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 | 6.46 | pIC50 | 350 | nM | IC50 | Eur J Med Chem (2018) 143: 320-333 [PMID:29202397] |
| 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 | 6.46 | pIC50 | 350 | nM | IC50 | Eur J Med Chem (2019) 173: 185-202 [PMID:31003060] |
| ChEMBL | Inhibition of human recombinant HDAC1 using p53 residues 379-382 (RHKKAc) as substrate | B | 6.51 | pIC50 | 310 | nM | IC50 | Bioorg Med Chem (2013) 21: 5339-5354 [PMID:23820574] |
| ChEMBL | Inhibition of human HDAC1 in U937 cells by immunoprecipitation assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 2530-2535 [PMID:18381238] |
| ChEMBL | Inhibition of HDAC1 by in vitro deacetylation assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) after 60 mins by fluorescence assay | B | 6.52 | pIC50 | <300 | nM | IC50 | J Med Chem (2013) 56: 4816-4820 [PMID:23672185] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader analysis | B | 6.56 | pIC50 | 273 | nM | IC50 | Eur J Med Chem (2015) 100: 270-276 [PMID:26140961] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence analysis | B | 6.57 | pIC50 | 271 | nM | IC50 | Bioorg Med Chem (2017) 25: 4123-4132 [PMID:28629630] |
| ChEMBL | Inhibition of human recombinant C-terminal His/FLAG-tagged HDAC1 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluorescence based assay | B | 6.72 | pIC50 | 190 | nM | IC50 | Eur J Med Chem (2019) 177: 457-466 [PMID:31181405] |
| ChEMBL | Inhibition of HDAC1 | B | 6.74 | pIC50 | 180 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) by fluorescence based assay | B | 6.75 | pIC50 | 178.3 | nM | IC50 | Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay | B | 6.79 | pIC50 | 163 | nM | IC50 | Bioorg Med Chem (2017) 25: 2981-2994 [PMID:28511906] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using fluorogenic substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay | B | 6.8 | pIC50 | 160 | nM | IC50 | J Med Chem (2018) 61: 5304-5322 [PMID:29787262] |
| ChEMBL | Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay | B | 6.85 | pIC50 | 140 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 2931-2935 [PMID:27142751] |
| ChEMBL | Inhibition of HDAC1 | B | 6.9 | pIC50 | 125 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cells | B | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of HDAC1 by fluorogenic enzyme assay | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 3651-3656 [PMID:19457659] |
| ChEMBL | Inhibition of HDAC1 | B | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of HDAC1 in HEK293 cells | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of recombinant full length human HDAC1 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by electrophoretic mobility shift assay | B | 6.93 | pIC50 | 118 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of HDAC1 (mean IC50) | B | 6.96 | pIC50 | 110 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 5948-5952 [PMID:16987657] |
| ChEMBL | Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis | B | 7 | pIC50 | <100 | nM | IC50 | Bioorg Med Chem (2012) 20: 4430-4436 [PMID:22705022] |
| ChEMBL | Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 7 | pIC50 | 99 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 7.27 | pIC50 | 53.89 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of recombinant human HDAC1 using Cbz-Lys(TFAc)-AMC as substrate by fluorometric analysis | B | 7.36 | pIC50 | 44 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351] |
| ChEMBL | Inhibition of HDAC1 | B | 7.6 | pIC50 | 25 | nM | IC50 | Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442] |
| ChEMBL | Inhibition of recombinant human HDAC1 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 9.7 | pIC50 | 0.2 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of human HDAC1 assessed as histone H4 acetylation in cell based assay | B | 6 | pEC50 | 1000 | nM | EC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| GtoPdb | - | - | 6.74 | pEC50 | 181 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| ChEMBL | Inhibition of recombinant human N-terminal GST/flag-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells after 3 hrs by fluorescence assay | B | 6.74 | pEC50 | 180 | nM | EC50 | Medchemcomm (2016) 7: 2184-2190 |
| histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8] | ||||||||
| ChEMBL | Inhibition of HDAC10 | B | 4.3 | pIC50 | 50100 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| ChEMBL | Inhibition of HDAC10 by in vitro deacetylation assay | B | 4.95 | pIC50 | 11100 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of HDAC10 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay | B | 5.5 | pIC50 | 3150 | nM | IC50 | Eur J Med Chem (2021) 215: 113169-113169 [PMID:33588178] |
| ChEMBL | Inhibition of human recombinant HDAC10 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 5.5 | pIC50 | 3150 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of recombinant full length human HDAC10 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by electrophoretic mobility shift assay | B | 6 | pIC50 | >1000 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Inhibition of recombinant C-terminal His-tagged HDAC11 (unknown origin) expressed in baculovirus infected Sf9 cells using Ac-Arg-Gly-Lys(Ac)-AMC as substrate pretreated for 3 hrs followed by substrate addition after 30 mins in presence of 0.2 uM SAHA by fluorometric method | B | 5.89 | pIC50 | 1300 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 2943-2945 [PMID:28501514] |
| ChEMBL | Inhibition of recombinant C-terminal His-tagged HDAC11 (unknown origin) expressed in baculovirus infected Sf9 cells using Ac-Arg-Gly-Lys(Ac)-AMC as substrate pretreated for 3 hrs followed by substrate addition after 30 mins by fluorometric method | B | 6.05 | pIC50 | 900 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 2943-2945 [PMID:28501514] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Inhibition of human HDAC2 | B | 7.19 | pKi | 65 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 7.19 | pKi | 65 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC2 | B | 5.82 | pIC50 | 1510 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 1926-1930 [PMID:22321215] |
| ChEMBL | Inhibition of HDAC2 | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 110-116 [PMID:21145737] |
| ChEMBL | Inhibition of FLAG-tagged HDAC2 (unknown origin) expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection based assay | B | 6.13 | pIC50 | 740 | nM | IC50 | Eur J Med Chem (2018) 144: 612-625 [PMID:29289885] |
| ChEMBL | Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 6.13 | pIC50 | 740 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | HDAC enzyme inhibitionAssay: HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48 and Perez-Balado et al., 2007, J. Med. Chem., 50:2497-2505. Inhibition assays using nuclear extract were performed essentially as described in Herman et al., 2006, Nat. Chem. Biol., 2:551-558. Briefly, the purified HDACs or nuclear extract were incubated with an acetylated substrate in the absence of the compound to be assayed and with increasing concentrations of the compound. The rate of substrate deacetylation was measured under each condition, and half-maximal inhibitory concentration with regard to each HDAC was determined by standard means. | B | 6.14 | pIC50 | 720 | nM | IC50 | US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016) |
| 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 | 6.17 | pIC50 | 670 | nM | IC50 | Eur J Med Chem (2019) 173: 185-202 [PMID:31003060] |
| ChEMBL | Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay | B | 6.19 | pIC50 | 650 | nM | IC50 | Bioorg Med Chem (2015) 23: 3457-3471 [PMID:25953722] |
| ChEMBL | Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release assay | B | 6.19 | pIC50 | 650 | nM | IC50 | Eur J Med Chem (2015) 96: 1-13 [PMID:25874326] |
| ChEMBL | Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence assay | B | 6.21 | pIC50 | 613 | nM | IC50 | Eur J Med Chem (2019) 162: 612-630 [PMID:30476825] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay | B | 6.21 | pIC50 | 613 | nM | IC50 | Eur J Med Chem (2021) 215: 113169-113169 [PMID:33588178] |
| ChEMBL | Inhibition of human recombinant HDAC2 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 6.21 | pIC50 | 613 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay | B | 6.21 | pIC50 | 610 | nM | IC50 | Eur J Med Chem (2020) 192: 112158-112158 [PMID:32171161] |
| ChEMBL | Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-acetyl)-AMC as substrate incubated for 90 mins by fluorescence assay | B | 6.3 | pIC50 | 505 | nM | IC50 | J Med Chem (2019) 62: 11260-11279 [PMID:31762274] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence analysis | B | 6.3 | pIC50 | 505 | nM | IC50 | Bioorg Med Chem (2017) 25: 4123-4132 [PMID:28629630] |
| ChEMBL | Inhibition of human recombinant HDAC2 | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (2007) 50: 5543-5546 [PMID:17941625] |
| ChEMBL | Inhibition of HDAC2 by in vitro deacetylation assay | B | 6.3 | pIC50 | 500 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| 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 | 6.32 | pIC50 | 480 | nM | IC50 | Eur J Med Chem (2018) 143: 320-333 [PMID:29202397] |
| ChEMBL | Inhibition of human recombinant C-terminal FLAG-tagged HDAC2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluorescence based assay | B | 6.39 | pIC50 | 410 | nM | IC50 | Eur J Med Chem (2019) 177: 457-466 [PMID:31181405] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2018) 61: 5304-5322 [PMID:29787262] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay | B | 6.4 | pIC50 | 396 | nM | IC50 | Bioorg Med Chem (2017) 25: 2981-2994 [PMID:28511906] |
| ChEMBL | Inhibition of HDAC2 | B | 6.47 | pIC50 | 340 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) after 60 mins by fluorescence assay | B | 6.52 | pIC50 | <300 | nM | IC50 | J Med Chem (2013) 56: 4816-4820 [PMID:23672185] |
| ChEMBL | Inhibition of HDAC2 | B | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of human C-terminal FLAG-tagged HDAC2 in HEK293 cells | B | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by electrophoretic mobility shift assay | B | 6.61 | pIC50 | 247 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant human HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 6.97 | pIC50 | 108.2 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis | B | 7 | pIC50 | <100 | nM | IC50 | Bioorg Med Chem (2012) 20: 4430-4436 [PMID:22705022] |
| ChEMBL | Inhibition of HDAC2 | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442] |
| ChEMBL | Inhibition of recombinant human HDAC2 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of recombinant human N-terminal GST/flag-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells after 3 hrs by fluorescence assay | B | 5.92 | pEC50 | 1200 | nM | EC50 | Medchemcomm (2016) 7: 2184-2190 |
| GtoPdb | - | - | 5.94 | pEC50 | 1155 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| GtoPdb | - | - | 6.44 | pKi | 360 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC3 | B | 6.44 | pKi | 360 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HADC3 (unknown origin) | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2020) 63: 23-39 [PMID:31415174] |
| ChEMBL | Inhibition of human FLAG-tagged HDAC3 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection based assay | B | 5.91 | pIC50 | 1230 | nM | IC50 | Eur J Med Chem (2018) 144: 612-625 [PMID:29289885] |
| ChEMBL | Inhibition of HDAC3 | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 110-116 [PMID:21145737] |
| ChEMBL | Inhibition of KDAC3 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method | B | 6.1 | pIC50 | 790 | nM | IC50 | J Med Chem (2016) 59: 1613-1633 [PMID:26681404] |
| ChEMBL | Inhibition of HDAC3 | B | 6.13 | pIC50 | 740 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay | B | 6.2 | pIC50 | 624 | nM | IC50 | Eur J Med Chem (2021) 215: 113169-113169 [PMID:33588178] |
| ChEMBL | Inhibition of human recombinant HDAC3 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 6.2 | pIC50 | 624 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay | B | 6.21 | pIC50 | 610 | nM | IC50 | J Med Chem (2018) 61: 5304-5322 [PMID:29787262] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay | B | 6.22 | pIC50 | 605 | nM | IC50 | Bioorg Med Chem (2017) 25: 2981-2994 [PMID:28511906] |
| ChEMBL | Inhibition of HDAC3 by in vitro deacetylation assay | B | 6.22 | pIC50 | 600 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | HDAC enzyme inhibitionAssay: HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48 and Perez-Balado et al., 2007, J. Med. Chem., 50:2497-2505. Inhibition assays using nuclear extract were performed essentially as described in Herman et al., 2006, Nat. Chem. Biol., 2:551-558. Briefly, the purified HDACs or nuclear extract were incubated with an acetylated substrate in the absence of the compound to be assayed and with increasing concentrations of the compound. The rate of substrate deacetylation was measured under each condition, and half-maximal inhibitory concentration with regard to each HDAC was determined by standard means. | B | 6.23 | pIC50 | 590 | nM | IC50 | US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016) |
| ChEMBL | Inhibition of HDAC3 | B | 6.3 | pIC50 | 501 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| ChEMBL | Inhibition of HDAC3 | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of HDAC3 in HEK293 cells | B | 6.4 | pIC50 | 400 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of human C-terminal FLAG-tagged HDAC3 in HEK293 cells | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of HDAC3 | B | 6.43 | pIC50 | 370 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay | B | 6.51 | pIC50 | 310 | nM | IC50 | Bioorg Med Chem (2015) 23: 7597-7606 [PMID:26613635] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) after 60 mins by fluorescence assay | B | 6.52 | pIC50 | <300 | nM | IC50 | J Med Chem (2013) 56: 4816-4820 [PMID:23672185] |
| ChEMBL | Inhibition of HDAC3 | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442] |
| ChEMBL | Inhibition of recombinant human HDAC3 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 8.64 | pIC50 | 2.3 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of recombinant human N-terminal GST/flag-tagged HDAC3 expressed in baculovirus infected Sf9 insect cells after 3 hrs by fluorescence assay | B | 5.64 | pEC50 | 2300 | nM | EC50 | Medchemcomm (2016) 7: 2184-2190 |
| GtoPdb | - | - | 5.64 | pEC50 | 2311 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| 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 | - | - | 6.44 | pKi | 360 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human recombinant full length 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-acetyl)-AMC as substrate incubated for 90 mins by fluorescence assay | B | 5.55 | pIC50 | 2850 | nM | IC50 | J Med Chem (2019) 62: 11260-11279 [PMID:31762274] |
| ChEMBL | Inhibition of His6-tagged HDAC3/SMRT (395 to 489 residues) (unknown origin) co-expressed in baculovirus infected sf9 cells using (FAM)-labeled acetylated peptide substrate after 17 hrs by caliper microfluidic mobility shift assay | B | 5.64 | pIC50 | 2312.06 | nM | IC50 | Eur J Med Chem (2018) 157: 1127-1142 [PMID:30179749] |
| ChEMBL | Inhibition of human recombinant C-terminal His-tagged HDAC3/NCOR2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluorescence based assay | B | 6.02 | pIC50 | 950 | nM | IC50 | Eur J Med Chem (2019) 177: 457-466 [PMID:31181405] |
| ChEMBL | Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay | B | 6.21 | pIC50 | 620 | nM | IC50 | Eur J Med Chem (2020) 192: 112158-112158 [PMID:32171161] |
| ChEMBL | Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 7.11 | pIC50 | 77.18 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| GtoPdb | - | - | 5.64 | pEC50 | 2311 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC4 using p53 residues 379-382 (RHKKAc) as substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2013) 21: 5339-5354 [PMID:23820574] |
| ChEMBL | Inhibition of HDAC4 | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of HDAC4 by in vitro deacetylation assay | B | 4.31 | pIC50 | 48700 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of HDAC4 | B | 4.97 | pIC50 | 10700 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| ChEMBL | Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of human recombinant HDAC4 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of HDAC4 gain-of-function phenotype expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of HDAC4 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of recombinant human full length HDAC4 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of flag-tagged HDAC4 by Biomol assay | B | 5.52 | pIC50 | 3017 | nM | IC50 | Proc Natl Acad Sci U S A (2007) 104: 17335-17340 [PMID:17956988] |
| ChEMBL | Inhibition of recombinant full length human HDAC4 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 1.5 hrs by electrophoretic mobility shift assay | B | 6 | pIC50 | >1000 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of flag-tagged HDAC4 by pull-down assay | B | 6.29 | pIC50 | 510 | nM | IC50 | Proc Natl Acad Sci U S A (2007) 104: 17335-17340 [PMID:17956988] |
| ChEMBL | Inhibition of recombinant human HDAC4 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 8 | pIC50 | >10 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of HDAC5 | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of human recombinant HDAC5 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of HDAC5 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of wild type His-tagged HDAC5 catalytic domain T678-L1122 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of recombinant human HDAC5 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of HDAC5 by in vitro deacetylation assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of recombinant full length human HDAC5 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay | B | 6 | pIC50 | >1000 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of HDAC6 | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| ChEMBL | Inhibition of HDAC6 | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of human recombinant HDAC6 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of human recombinant HDAC6 using p53 residues 379-382 (RHKKAc) as substrate | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2013) 21: 5339-5354 [PMID:23820574] |
| ChEMBL | Inhibition of HDAC6 by in vitro deacetylation assay | B | 4 | pIC50 | >100000 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of HDAC6 | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of KDAC6 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2016) 59: 1613-1633 [PMID:26681404] |
| ChEMBL | Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | Eur J Med Chem (2019) 162: 612-630 [PMID:30476825] |
| ChEMBL | Inhibition of HDAC6 | B | 4.89 | pIC50 | 13000 | nM | IC50 | Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442] |
| ChEMBL | Inhibition of C-terminal FLAG-tagged HDAC6 expressed in mammalian cells | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells ZMAL as substrate incubated for 90 mins by fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 11260-11279 [PMID:31762274] |
| ChEMBL | Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) by fluorescence based assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265] |
| ChEMBL | Inhibition of HDAC6 at 10 uM | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| 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 | 5.39 | pIC50 | 4120 | nM | IC50 | Eur J Med Chem (2019) 173: 185-202 [PMID:31003060] |
| 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 | 5.41 | pIC50 | 3930 | nM | IC50 | Eur J Med Chem (2018) 143: 320-333 [PMID:29202397] |
| ChEMBL | Inhibition of recombinant human HDAC6 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 8 | pIC50 | >10 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| ChEMBL | Inhibition of HDAC7 by in vitro deacetylation assay | B | 4 | pIC50 | >100000 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of HDAC7 | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of wild type His-tagged HDAC7 catalytic domain T515-L952 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of HDAC7 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of human recombinant HDAC7 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of recombinant full length human HDAC7 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay | B | 6 | pIC50 | >1000 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant human HDAC7 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 8 | pIC50 | >10 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| Histone deacetylase 8 in Schistosoma mansoni (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3797017] [UniProtKB: A5H660] | ||||||||
| ChEMBL | Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem (2017) 25: 2105-2132 [PMID:28259528] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| ChEMBL | Inhibition of HDAC8 | B | 4.2 | pIC50 | 63400 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| ChEMBL | Inhibition of HDAC8 | B | 4.35 | pIC50 | 44900 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of HDAC8 | B | 4.4 | pIC50 | >40000 | nM | IC50 | Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442] |
| ChEMBL | Inhibition of KDAC8 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2016) 59: 1613-1633 [PMID:26681404] |
| ChEMBL | Inhibition of HDAC8 | B | 4.85 | pIC50 | 14120 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 726-731 [PMID:18060775] |
| ChEMBL | Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem (2015) 23: 3457-3471 [PMID:25953722] |
| ChEMBL | Inhibition of HDAC8 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 2350-2353 [PMID:18370373] |
| ChEMBL | Inhibition of C-terminal His-tagged HDAC8 expressed in Escherichia coli | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2009) 52: 3453-3456 [PMID:19441846] |
| ChEMBL | Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2015) 96: 1-13 [PMID:25874326] |
| ChEMBL | Inhibition of recombinant human full length HDAC8 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of recombinant full length human C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 cells using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of human HDAC8 using RHKAcKAc as substrate by fluorescence assay | B | 5.01 | pIC50 | 9884 | nM | IC50 | Eur J Med Chem (2019) 162: 612-630 [PMID:30476825] |
| ChEMBL | Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC as substrate measured after 60 mins by fluorescence assay | B | 5.01 | pIC50 | 9880 | nM | IC50 | Eur J Med Chem (2020) 192: 112158-112158 [PMID:32171161] |
| ChEMBL | Inhibition of human recombinant HDAC8 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 5.01 | pIC50 | 9880 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of HDAC8 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay | B | 5.01 | pIC50 | 9880 | nM | IC50 | Eur J Med Chem (2021) 215: 113169-113169 [PMID:33588178] |
| ChEMBL | Inhibition of HDAC8 by in vitro deacetylation assay | B | 5.49 | pIC50 | 3200 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of Homo sapiens (human) HDAC8 | B | 6.74 | pIC50 | 181 | nM | IC50 | Med Chem Res (2012) 21: 568-577 |
| ChEMBL | Inhibition of recombinant human HDAC8 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 8 | pIC50 | >10 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| ChEMBL | Inhibition of HDAC9 by in vitro deacetylation assay | B | 4 | pIC50 | >100000 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 5501-5525 [PMID:32321249] |
| ChEMBL | Inhibition of human recombinant HDAC9 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2020) 196: 112291-112291 [PMID:32325365] |
| ChEMBL | Inhibition of recombinant human HDAC9 (604-1066 residues) expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay | B | 6 | pIC50 | >1000 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant human HDAC9 using pan-HDAC substrate incubated for 3 hrs by fluorescence method | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| GtoPdb | - | - | 6.3 | pEC50 | 505 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| Histone deacetylase-like amidohydrolase in Alcaligenes sp. (strain DSM 11172) (Bordetella sp. (strain FB188)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6017] [UniProtKB: Q70I53] | ||||||||
| ChEMBL | Displacement of Atto700-HA from Bordetella / Alcaligenes strain FB188 HDAH by fluorescence anisotropy | B | 4 | pKi | >100000 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 3651-3656 [PMID:19457659] |
| Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960] | ||||||||
| ChEMBL | Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition of LTA4 as substrate measured after 15 mins by reverse-phase HPLC analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2017) 60: 1817-1828 [PMID:28218840] |
| sirtuin 1/NAD-dependent deacetylase sirtuin 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
| ChEMBL | Inhibition of SIRT1 | B | 4 | pIC50 | >100000 | nM | IC50 | Eur J Med Chem (2012) 53: 390-397 [PMID:22541394] |
| 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 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in O+ human erythrocytes by [3H]hypoxanthine incorporation assay | F | 5.08 | pIC50 | 8300 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1454-1461 [PMID:18212103] |
| ChEMBL | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 infected in O+ human erythrocytes by [3H]hypoxanthine incorporation assay | F | 5.11 | pIC50 | 7800 | nM | IC50 | Antimicrob Agents Chemother (2008) 52: 1454-1461 [PMID:18212103] |
| ChEMBL | Antiplasmodial activity against asynchronous form of Plasmodium falciparum 3D7 infected in human erythrocytes assessed as parasite growth inhibition after 48 hrs by SYBR green1 staining based flow cytometry | F | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2019) 161: 277-291 [PMID:30366254] |
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]
