trichostatin A [Ligand Id: 7005] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL99 (A-300-I, ANTIBIOTIC A-300, GNF-Pf-1011, Trichostatin, Trichostatin(s))
  • coagulation factor III, tissue factor/Coagulation factor III in Human [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726]
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  • Histone deacetylase in Plasmodium falciparum [ChEMBL: CHEMBL5541] [UniProtKB: Q9XYC7]
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  • histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
  • histone deacetylase 1/Histone deacetylase 1 in Mouse [ChEMBL: CHEMBL4001] [GtoPdb: 2658] [UniProtKB: O09106]
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  • histone deacetylase 10/Histone deacetylase 10 in Human [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8]
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  • histone deacetylase 11/Histone deacetylase 11 in Human [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2]
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  • histone deacetylase 2/Histone deacetylase 2 in Human [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
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  • histone deacetylase 3/Histone deacetylase 3 in Human [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379]
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  • histone deacetylase 3/Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) in Human [ChEMBL: CHEMBL2111363] [GtoPdb: 2617] [UniProtKB: O15379Q9Y618]
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  • histone deacetylase 4/Histone deacetylase 4 in Human [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524]
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  • histone deacetylase 5/Histone deacetylase 5 in Human [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6]
  • histone deacetylase 5/Histone deacetylase 5 in Mouse [ChEMBL: CHEMBL2768] [GtoPdb: 2660] [UniProtKB: Q9Z2V6]
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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
  • histone deacetylase 6/Histone deacetylase 6 in Mouse [ChEMBL: CHEMBL2878] [GtoPdb: 2618] [UniProtKB: Q9Z2V5]
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  • histone deacetylase 7/Histone deacetylase 7 in Human [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4]
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  • Histone deacetylase 8 in Schistosoma mansoni [ChEMBL: CHEMBL3797017] [UniProtKB: A5H660]
  • histone deacetylase 8/Histone deacetylase 8 in Human [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
  • histone deacetylase 8/Histone deacetylase 8 in Mouse [ChEMBL: CHEMBL2347] [GtoPdb: 2619] [UniProtKB: Q8VH37]
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  • histone deacetylase 9/Histone deacetylase 9 in Human [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0]
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  • Histone deacetylase-like amidohydrolase in Alcaligenes sp. (strain DSM 11172) (Bordetella sp. (strain FB188)) [ChEMBL: CHEMBL6017] [UniProtKB: Q70I53]
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  • Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960]
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  • sirtuin 6/NAD-dependent protein deacetylase sirtuin-6 in Human [ChEMBL: CHEMBL2163182] [GtoPdb: 2712] [UniProtKB: Q8N6T7]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
coagulation factor III, tissue factor/Coagulation factor III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726]
ChEMBL Inhibition of LPS-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of LPS challenge by one stage clotting assay B 7.3 pIC50 50 nM IC50 J Biol Chem (2007) 282: 28408-28418 [PMID:17675290]
ChEMBL Inhibition of IL-1-beta-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of IL1-beta challenge by one stage clotting assay B 7.3 pIC50 50 nM IC50 J Biol Chem (2007) 282: 28408-28418 [PMID:17675290]
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 7.52 pIC50 30 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 7.7 pIC50 20 nM IC50 J Biol Chem (2007) 282: 28408-28418 [PMID:17675290]
ChEMBL Inhibition of IL-1-beta-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of IL1-beta challenge by one stage clotting assay B 7.7 pIC50 20 nM IC50 J Biol Chem (2007) 282: 28408-28418 [PMID:17675290]
ChEMBL Inhibition of HOSCN-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of HOSCN challenge by one stage clotting assay B 7.7 pIC50 20 nM IC50 J Biol Chem (2007) 282: 28408-28418 [PMID:17675290]
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 9.22 pIC50 0.6 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 recombinant HDAC1 by Michaelis-Menten equation analysis B 9.06 pKi 0.87 nM Ki ACS Med Chem Lett (2013) 4: 757-761 [PMID:24900743]
ChEMBL Inhibition of recombinant HDAC1 B 9.64 pKi 0.23 nM Ki Eur J Med Chem (2010) 45: 2095-2116 [PMID:20223566]
ChEMBL Inhibition of human HDAC1 B 9.7 pKi 0.2 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC1 B 9.7 pKi 0.2 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
ChEMBL Inhibition of HDAC1 (unknown origin) B 9.7 pKi 0.2 nM Ki Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
GtoPdb - - 9.7 pKi 0.2 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1) B 4.6 pIC50 >25000 nM IC50 J Med Chem (2003) 46: 820-830 [PMID:12593661]
ChEMBL Inhibition of HDAC1 by fluorescence assay B 5.41 pIC50 3900 nM IC50 Bioorg Med Chem Lett (2011) 21: 1218-1221 [PMID:21256006]
ChEMBL Inhibition of HDAC1 expressed in 293T cells B 6.72 pIC50 190 nM IC50 Bioorg Med Chem (2008) 16: 437-445 [PMID:17900911]
ChEMBL Inhibition of human full-length recombinant HDAC1 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay B 7.21 pIC50 62 nM IC50 Eur J Med Chem (2021) 222: 113569-113569 [PMID:34111829]
ChEMBL Inhibition of human HDAC1 expressed in 293T cells B 7.44 pIC50 36.6 nM IC50 Bioorg Med Chem Lett (2008) 18: 2982-2984 [PMID:18397826]
ChEMBL Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay B 7.49 pIC50 32 nM IC50 Eur J Med Chem (2019) 162: 321-333 [PMID:30448419]
ChEMBL Inhibition of HDAC1 B 7.59 pIC50 26 nM IC50 Bioorg Med Chem Lett (2007) 17: 1558-1561 [PMID:17257837]
ChEMBL Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay B 7.6 pIC50 24.9 nM IC50 Eur J Med Chem (2019) 162: 612-630 [PMID:30476825]
ChEMBL Inhibition of HDAC1 by fluorimetric assay B 7.64 pIC50 23 nM IC50 Bioorg Med Chem Lett (2012) 22: 6770-6772 [PMID:23021104]
ChEMBL Inhibition of recombinant human HDAC1 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate measured after 30 mins by fluorescence assay B 7.64 pIC50 23 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of HDAC1 B 7.64 pIC50 23 nM IC50 Bioorg Med Chem Lett (2010) 20: 997-999 [PMID:20045316]
ChEMBL Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation B 7.64 pIC50 23 nM IC50 Bioorg Med Chem Lett (2016) 26: 5222-5228 [PMID:27717544]
ChEMBL Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader B 7.64 pIC50 23 nM IC50 Bioorg Med Chem (2014) 22: 3850-3855 [PMID:24997578]
ChEMBL Inhibition of HDAC1 B 7.68 pIC50 21 nM IC50 J Med Chem (2006) 49: 4809-4812 [PMID:16884291]
ChEMBL Inhibition of human recombinant HDAC1 expressed in NIH3T3 cells B 7.68 pIC50 21 nM IC50 J Med Chem (2007) 50: 5425-5438 [PMID:17929798]
ChEMBL Inhibitory concentration against histone deacetylase 1 B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2005) 15: 4427-4431 [PMID:16137884]
ChEMBL Inhibition of human histone deacetylase 1 prepared from 293T cells B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2004) 14: 5343-5346 [PMID:15454224]
ChEMBL Inhibition of recombinant human HDAC1 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins in presence of DTT by fluorescence assay B 7.72 pIC50 19 nM IC50 Bioorg Med Chem (2018) 26: 1920-1928 [PMID:29519604]
ChEMBL Inhibition of HDAC1 in human SHSY5Y cells using MOCPAC as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis B 7.73 pIC50 18.8 nM IC50 Bioorg Med Chem Lett (2016) 26: 4955-4959 [PMID:27650925]
ChEMBL Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells by using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay B 7.75 pIC50 17.9 nM IC50 Bioorg Med Chem (2020) 28: 115250-115250 [PMID:31924504]
ChEMBL Inhibition of human HDAC1 B 7.8 pIC50 16 nM IC50 Bioorg Med Chem Lett (2007) 17: 4895-4900 [PMID:17588744]
ChEMBL Inhibition of HDAC1 by fluorescent activity assay B 7.8 pIC50 16 nM IC50 Bioorg Med Chem Lett (2011) 21: 5735-5738 [PMID:21875796]
ChEMBL Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf21 cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorimetric assay B 7.8 pIC50 15.8 nM IC50 Eur J Med Chem (2020) 187: 111915-111915 [PMID:31838329]
ChEMBL Inhibition of human recombinant GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using MOCPAC as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis B 7.8 pIC50 15.7 nM IC50 Bioorg Med Chem Lett (2016) 26: 4955-4959 [PMID:27650925]
ChEMBL Inhibition of human KDAC1 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method B 7.82 pIC50 15 nM IC50 J Med Chem (2016) 59: 1613-1633 [PMID:26681404]
ChEMBL Inhibition of HDAC1 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control B 7.9 pIC50 12.5 nM IC50 Eur J Med Chem (2019) 168: 110-122 [PMID:30802729]
ChEMBL Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay B 7.91 pIC50 12.44 nM IC50 Eur J Med Chem (2018) 143: 2005-2014 [PMID:29150335]
ChEMBL Inhibition of human HDAC1 after 30 mins by fluorescence assay B 7.92 pIC50 12 nM IC50 J Nat Prod (2012) 75: 285-289 [PMID:22276693]
ChEMBL Inhibition of HDAC1 by fluorometric assay B 7.92 pIC50 12 nM IC50 Bioorg Med Chem Lett (2012) 22: 6200-6204 [PMID:22932316]
ChEMBL Inhibition of human HDAC1 by ELISA B 7.92 pIC50 12 nM IC50 Eur J Med Chem (2018) 148: 73-85 [PMID:29454918]
ChEMBL Inhibition of human HDAC1 using RHKKAc peptide as substrate B 7.92 pIC50 12 nM IC50 J Med Chem (2018) 61: 7087-7102 [PMID:30028616]
ChEMBL Inhibition of human HDAC1 by fluorescence assay B 7.96 pIC50 10.9 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay B 8 pIC50 10 nM IC50 Eur J Med Chem (2019) 161: 277-291 [PMID:30366254]
ChEMBL Inhibition of recombinant human HDAC1 using Cbz-Lys(TFAc)-AMC as substrate by fluorometric analysis B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351]
ChEMBL Inhibition of HDAC1 B 8 pIC50 9.9 nM IC50 Bioorg Med Chem (2010) 18: 3925-3933 [PMID:20452226]
ChEMBL Inhibition of full length recombinant C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence plate reader assay B 8.02 pIC50 9.59 nM IC50 Bioorg Med Chem (2021) 50: 116454-116454 [PMID:34634618]
ChEMBL Inhibition of HDAC1 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 8.04 pIC50 9.2 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay B 8.05 pIC50 9 nM IC50 J Med Chem (2019) 62: 8557-8577 [PMID:31414801]
ChEMBL Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf21 insect cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay B 8.05 pIC50 9 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of recombinant human HDAC1 by fluorimetry B 8.07 pIC50 8.5 nM IC50 J Med Chem (2016) 59: 655-670 [PMID:26705137]
ChEMBL Inhibition of human recombinant HDAC1 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 8.09 pIC50 8.22 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay B 8.11 pIC50 7.7 nM IC50 ACS Med Chem Lett (2017) 8: 510-515 [PMID:28523102]
ChEMBL Inhibition of HDAC1 (unknown origin) after 15 mins by fluorescence assay B 8.13 pIC50 7.4 nM IC50 Bioorg Med Chem Lett (2014) 24: 5497-5501 [PMID:25455492]
ChEMBL Inhibition of human HDAC1 by fluorimetric assay B 8.15 pIC50 7.12 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate B 8.15 pIC50 7.12 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC1 B 8.15 pIC50 7 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of recombinant human C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorimetry analysis B 8.16 pIC50 6.96 nM IC50 Eur J Med Chem (2020) 190: 112086-112086 [PMID:32058238]
ChEMBL Inhibition of human HDAC1 using RHKK(Ac) as substrate B 8.16 pIC50 6.9 nM IC50 Eur J Med Chem (2018) 150: 667-677 [PMID:29567459]
ChEMBL Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate B 8.16 pIC50 6.89 nM IC50 Eur J Med Chem (2021) 217: 113338-113338 [PMID:33744690]
ChEMBL Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay B 8.16 pIC50 6.89 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
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 8.17 pIC50 6.7 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay B 8.18 pIC50 6.57 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Inhibition of human HDAC1 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay B 8.21 pIC50 6.22 nM IC50 Eur J Med Chem (2019) 184: 111755-111755 [PMID:31627059]
ChEMBL Inhibition of human HDAC1 B 8.22 pIC50 6 nM IC50 Bioorg Med Chem Lett (2020) 30: 127023-127023 [PMID:32067866]
ChEMBL Inhibition of HDAC1 in human NIH3T3 cells by radiometric histone deacetylation assay B 8.22 pIC50 6 nM IC50 Bioorg Med Chem Lett (2009) 19: 3651-3656 [PMID:19457659]
ChEMBL Inhibition of HADC1 (unknown origin) B 8.22 pIC50 6 nM IC50 J Med Chem (2020) 63: 23-39 [PMID:31415174]
ChEMBL Inhibition of HDAC1 B 8.22 pIC50 6 nM IC50 Bioorg Med Chem Lett (2012) 22: 1926-1930 [PMID:22321215]
ChEMBL Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay B 8.25 pIC50 5.6 nM IC50 ACS Med Chem Lett (2020) 11: 713-719 [PMID:32435375]
ChEMBL Inhibitory concentration against recombinant human Histone deacetylase 1 B 8.3 pIC50 5 nM IC50 J Med Chem (2003) 46: 5097-5116 [PMID:14613312]
ChEMBL Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate B 8.3 pIC50 5 nM IC50 J Med Chem (2012) 55: 9891-9899 [PMID:23009203]
ChEMBL Inhibition of human recombinant HDAC1 expressed in baculovirus/sf9 cells using RHKKAc as substrate B 8.3 pIC50 5 nM IC50 J Med Chem (2013) 56: 6775-6791 [PMID:23905680]
ChEMBL In vitro inhibition of partially purified recombinant human Histone deacetylase 1 B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2001) 11: 2847-2850 [PMID:11597413]
ChEMBL Inhibition against partially purified human histone deacetylase 1 (HDAC-1) B 8.3 pIC50 5 nM IC50 J Med Chem (2002) 45: 2877-2885 [PMID:12061890]
ChEMBL Inhibition of human recombinant HDAC1 using p53 residues 379-382 (RHKKAc) as substrate B 8.31 pIC50 4.9 nM IC50 Bioorg Med Chem (2013) 21: 5339-5354 [PMID:23820574]
ChEMBL Inhibition of HDAC1 (unknown origin) after 30 mins by fluorometric analysis B 8.37 pIC50 4.3 nM IC50 Bioorg Med Chem (2013) 21: 4201-4209 [PMID:23719282]
ChEMBL Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs B 8.4 pIC50 4 nM IC50 J Med Chem (2010) 53: 1347-1356 [PMID:20055418]
ChEMBL Inhibition of HDAC1 after 17 hrs B 8.4 pIC50 4 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
ChEMBL Inhibition of HDAC1 B 8.4 pIC50 4 nM IC50 J Med Chem (2008) 51: 3437-3448 [PMID:18494463]
ChEMBL Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay B 8.48 pIC50 3.3 nM IC50 J Med Chem (2009) 52: 7836-7846 [PMID:19705846]
ChEMBL Inhibition of human HDAC1 using rhodamine as substrate after 1 hrs by fluorescence assay B 8.52 pIC50 3 nM IC50 Bioorg Med Chem (2011) 19: 4626-4634 [PMID:21723733]
ChEMBL Inhibition of HDAC1 by in vitro deacetylation assay B 8.52 pIC50 3 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay B 8.64 pIC50 2.3 nM IC50 Eur J Med Chem (2012) 52: 111-122 [PMID:22465091]
ChEMBL Inhibition of recombinant full-length human HDAC1 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 8.67 pIC50 2.14 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method B 8.7 pIC50 2 nM IC50 Bioorg Med Chem (2015) 23: 6785-6793 [PMID:26481659]
ChEMBL Inhibition of human HDAC1 expressed in 293T cells B 8.72 pIC50 1.9 nM IC50 Bioorg Med Chem (2007) 15: 7830-7839 [PMID:17881232]
ChEMBL Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay B 8.82 pIC50 1.5 nM IC50 J Med Chem (2021) 64: 4810-4840 [PMID:33830764]
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 9.17 pIC50 0.68 nM IC50 ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464]
ChEMBL Inhibition of HDAC1 B 9.82 pIC50 0.15 nM IC50 Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442]
ChEMBL Inhibition of Histone deacetylase 1 induced acetylated histone in mammalian cells. B 5.22 pEC50 6000 nM EC50 J Med Chem (2003) 46: 4826-4829 [PMID:14584932]
ChEMBL Concentration of compound required for acetylation of histone-4 in human T24 cancer cells F 6 pEC50 1000 nM EC50 Bioorg Med Chem Lett (2001) 11: 2847-2850 [PMID:11597413]
histone deacetylase 1/Histone deacetylase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4001] [GtoPdb: 2658] [UniProtKB: O09106]
ChEMBL Binding affinity towards HDAC1 (Histone deacetylase 1) in mouse A20 cells, expressed as binding constant (pKi) B 8.97 pKi 1.07 nM Ki J Med Chem (2002) 45: 1778-1784 [PMID:11960489]
ChEMBL Inhibitory activity against histone deacetylases (HDAC1) prepared from mouse melanoma B16/BL6 cells B 7.72 pIC50 19 nM IC50 Bioorg Med Chem Lett (2004) 14: 2427-2431 [PMID:15109626]
ChEMBL In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells B 8.7 pIC50 2 nM IC50 J Med Chem (2002) 45: 1778-1784 [PMID:11960489]
ChEMBL Inhibition of mouse Histone deacetylase 1 (HDAC1) receptor B 8.7 pIC50 2 nM IC50 J Med Chem (2004) 47: 1351-1359 [PMID:14998325]
ChEMBL Inhibition of mouse HDAC1 B 8.7 pIC50 2 nM IC50 J Med Chem (2004) 47: 1351-1359 [PMID:14998325]
ChEMBL Inhibition of mouse HDAC1 B 8.74 pIC50 1.8 nM IC50 J Med Chem (2006) 49: 6046-6056 [PMID:17004718]
ChEMBL Inhibition of mouse liver HDAC1 B 8.74 pIC50 1.8 nM IC50 J Med Chem (2008) 51: 1505-1529 [PMID:18247554]
histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8]
ChEMBL Inhibition of HDAC10 B 8.15 pKi 7 nM Ki Eur J Med Chem (2010) 45: 2095-2116 [PMID:20223566]
ChEMBL Inhibition of human HDAC10 using RHKKAc as substrate by fluorescence assay B 7.15 pIC50 71 nM IC50 Eur J Med Chem (2019) 162: 612-630 [PMID:30476825]
ChEMBL Inhibition of HDAC10 (unknown origin) using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay B 7.21 pIC50 61 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of recombinant human HDAC10 using fluorogenic substrate by fluorescence assay B 7.42 pIC50 38.1 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
ChEMBL Inhibition of recombinant full-length human HDAC10 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 7.42 pIC50 37.9 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate B 7.46 pIC50 34.81 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Inhibition of human HDAC10 using RHKKAc peptide as substrate B 7.46 pIC50 34.5 nM IC50 J Med Chem (2018) 61: 7087-7102 [PMID:30028616]
ChEMBL Inhibition of HDAC10 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay B 7.49 pIC50 32 nM IC50 Eur J Med Chem (2018) 143: 2005-2014 [PMID:29150335]
ChEMBL Inhibition of HDAC10 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 7.51 pIC50 31 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
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 7.64 pIC50 22.8 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of human HDAC10 using fluorogenic tetrapeptide RHKKAc as substrate B 7.7 pIC50 20.1 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC10 by fluorimetric assay B 7.7 pIC50 20.1 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC10 B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of human recombinant HDAC10 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 7.95 pIC50 11.3 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of human recombinant HDAC10 expressed in baculovirus/sf9 cells using RHKKAc as substrate B 8.05 pIC50 9 nM IC50 J Med Chem (2013) 56: 6775-6791 [PMID:23905680]
ChEMBL Inhibition of HDAC10 by in vitro deacetylation assay B 8.1 pIC50 8 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of HDAC10 B 8.3 pIC50 5 nM IC50 J Med Chem (2008) 51: 3437-3448 [PMID:18494463]
ChEMBL Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs B 8.3 pIC50 5 nM IC50 J Med Chem (2010) 53: 1347-1356 [PMID:20055418]
ChEMBL Inhibition of HDAC10 after 17 hrs B 8.3 pIC50 5 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
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 8.79 pIC50 1.61 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 human full length HDAC11 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay B 4.96 pIC50 10900 nM IC50 J Med Chem (2018) 61: 1552-1575 [PMID:29360358]
ChEMBL Inhibition of human recombinant N-terminal Streptavidin2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using fluorogenic HDAC class 2a as substrate measured after 1 to 2 hrs by fluorescence assay B 5.46 pIC50 3470 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of recombinant human HDAC11 using fluorogenic substrate by fluorescence assay B 5.68 pIC50 2110 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
ChEMBL Inhibition of human HDAC11 by fluorescence assay B 7.51 pIC50 31 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of HDAC11 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 7.6 pIC50 25 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of human recombinant HDAC11 expressed in baculovirus/sf9 cells using RHKKAc as substrate B 7.76 pIC50 17.3 nM IC50 J Med Chem (2013) 56: 6775-6791 [PMID:23905680]
ChEMBL Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate B 7.82 pIC50 15.2 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC11 by fluorimetric assay B 7.82 pIC50 15.15 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of recombinant C-terminal His-tagged human HDAC11 (1 to 347 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as substrate by fluorimetric assay B 7.82 pIC50 15 nM IC50 Eur J Med Chem (2019) 162: 321-333 [PMID:30448419]
ChEMBL Inhibition of human HDAC11 B 7.82 pIC50 15 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of human recombinant HDAC11 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 7.86 pIC50 13.9 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(Ac)-AMC as substrate by fluorescence assay B 7.94 pIC50 11.37 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Inhibition of recombinant full-length human HDAC11 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 7.97 pIC50 10.6 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
ChEMBL Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis B 8.97 pKi 1.06 nM Ki ACS Med Chem Lett (2013) 4: 757-761 [PMID:24900743]
ChEMBL Inhibition of recombinant HDAC2 B 9.12 pKi 0.76 nM Ki Eur J Med Chem (2010) 45: 2095-2116 [PMID:20223566]
ChEMBL Inhibition of human HDAC2 B 9.15 pKi 0.7 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
ChEMBL Inhibition of human HDAC2 B 9.19 pKi 0.65 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
GtoPdb - - 9.19 pKi 0.65 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluorescence assay B 4.59 pIC50 25800 nM IC50 Bioorg Med Chem (2016) 24: 5183-5196 [PMID:27614919]
ChEMBL Inhibition of HDAC2 by fluorescence assay B 5.12 pIC50 7600 nM IC50 Bioorg Med Chem Lett (2011) 21: 1218-1221 [PMID:21256006]
ChEMBL Inhibition of human full-length recombinant HDAC2 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay B 7.02 pIC50 96 nM IC50 Eur J Med Chem (2021) 222: 113569-113569 [PMID:34111829]
ChEMBL Inhibition of human recombinant HDAC2 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 7.17 pIC50 68 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of recombinant human HDAC2 by fluorimetry B 7.28 pIC50 52 nM IC50 J Med Chem (2016) 59: 655-670 [PMID:26705137]
ChEMBL Inhibition of human HDAC2 using RHKKAc peptide as substrate B 7.33 pIC50 46.6 nM IC50 J Med Chem (2018) 61: 7087-7102 [PMID:30028616]
ChEMBL Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry assay B 7.4 pIC50 39.5 nM IC50 Eur J Med Chem (2020) 187: 111915-111915 [PMID:31838329]
ChEMBL Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence assay B 7.41 pIC50 39.1 nM IC50 Eur J Med Chem (2019) 162: 612-630 [PMID:30476825]
ChEMBL Inhibitory concentration against histone deacetylase 2 B 7.41 pIC50 39 nM IC50 Bioorg Med Chem Lett (2005) 15: 4427-4431 [PMID:16137884]
ChEMBL Inhibition of human HDAC2 by fluorescence assay B 7.49 pIC50 32.1 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of full length recombinant C-terminal GST-fusion-tagged human HDAC2 expressed in insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence plate reader assay B 7.54 pIC50 28.6 nM IC50 Bioorg Med Chem (2021) 50: 116454-116454 [PMID:34634618]
ChEMBL Inhibition of HDAC2 (unknown origin) after 15 mins by fluorescence assay B 7.55 pIC50 28.2 nM IC50 Bioorg Med Chem Lett (2014) 24: 5497-5501 [PMID:25455492]
ChEMBL Inhibition of HDAC2 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 7.6 pIC50 25 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of recombinant human GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected sf21 cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay B 7.6 pIC50 25 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation B 7.62 pIC50 24 nM IC50 Bioorg Med Chem Lett (2016) 26: 5222-5228 [PMID:27717544]
ChEMBL Inhibition of HDAC2 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay B 7.63 pIC50 23.6 nM IC50 Eur J Med Chem (2018) 143: 2005-2014 [PMID:29150335]
ChEMBL Inhibition of human HDAC2 by ELISA B 7.64 pIC50 23 nM IC50 Eur J Med Chem (2018) 148: 73-85 [PMID:29454918]
ChEMBL Inhibition of human HDAC2 B 7.64 pIC50 23 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of human HDAC2 by fluorimetric assay B 7.64 pIC50 22.95 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay B 7.69 pIC50 20.5 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
ChEMBL Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay B 7.73 pIC50 18.7 nM IC50 Bioorg Med Chem (2020) 28: 115250-115250 [PMID:31924504]
ChEMBL Inhibition of HDAC2 B 7.74 pIC50 18 nM IC50 Bioorg Med Chem Lett (2012) 22: 1926-1930 [PMID:22321215]
ChEMBL Inhibition of recombinant full-length human HDAC2 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 7.82 pIC50 15 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
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 7.83 pIC50 14.8 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of HDAC2 B 7.85 pIC50 14 nM IC50 J Med Chem (2008) 51: 3437-3448 [PMID:18494463]
ChEMBL Inhibition of HDAC2 (unknown origin) after 30 mins by fluorometric analysis B 7.85 pIC50 14 nM IC50 Bioorg Med Chem (2013) 21: 4201-4209 [PMID:23719282]
ChEMBL Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs B 7.85 pIC50 14 nM IC50 J Med Chem (2010) 53: 1347-1356 [PMID:20055418]
ChEMBL Inhibition of HDAC2 after 17 hrs B 7.85 pIC50 14 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
ChEMBL Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay B 7.98 pIC50 10.51 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Inhibition of HDAC2 by in vitro deacetylation assay B 8 pIC50 10 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of human recombinant histone deacetylase 2 B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2009) 19: 688-692 [PMID:19111466]
ChEMBL Inhibition of human recombinant HDAC2 expressed in baculovirus/sf9 cells using RHKKAc as substrate B 8.3 pIC50 5 nM IC50 J Med Chem (2013) 56: 6775-6791 [PMID:23905680]
ChEMBL Inhibition of human HDAC2 using rhodamine as substrate after 1 hrs by fluorescence assay B 8.4 pIC50 4 nM IC50 Bioorg Med Chem (2011) 19: 4626-4634 [PMID:21723733]
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 8.56 pIC50 2.74 nM IC50 ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464]
ChEMBL Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay B 8.96 pIC50 1.1 nM IC50 Eur J Med Chem (2012) 52: 111-122 [PMID:22465091]
ChEMBL Inhibition of HDAC2 B 9 pIC50 1 nM IC50 Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442]
histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379]
ChEMBL Inhibition of recombinant HDAC3 B 9.24 pKi 0.58 nM Ki Eur J Med Chem (2010) 45: 2095-2116 [PMID:20223566]
GtoPdb - - 9.3 pKi 0.5 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC3 B 9.3 pKi 0.5 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC3 B 9.3 pKi 0.5 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
ChEMBL Inhibition of HDAC3 by fluorescence assay B 5.28 pIC50 5200 nM IC50 Bioorg Med Chem Lett (2011) 21: 1218-1221 [PMID:21256006]
ChEMBL Inhibition of human HDAC3 using RHKKAc peptide as substrate B 7.28 pIC50 52.5 nM IC50 J Med Chem (2018) 61: 7087-7102 [PMID:30028616]
ChEMBL Inhibition of human recombinant HDAC3 using [RHKK(Ac)] fluorogenic substrate B 7.43 pIC50 37.5 nM IC50 Eur J Med Chem (2021) 217: 113338-113338 [PMID:33744690]
ChEMBL Inhibition of recombinant human HDAC3 using fluorogenic substrate by fluorescence assay B 7.43 pIC50 37.5 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
ChEMBL Inhibition of HDAC3 (unknown origin) by ELISA B 7.51 pIC50 31 nM IC50 Eur J Med Chem (2018) 148: 73-85 [PMID:29454918]
ChEMBL Inhibition of human full-length recombinant HDAC3 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay B 7.52 pIC50 30 nM IC50 Eur J Med Chem (2021) 222: 113569-113569 [PMID:34111829]
ChEMBL Inhibition of human HDAC3 using RHKKAc as substrate by fluorescence assay B 7.58 pIC50 26.2 nM IC50 Eur J Med Chem (2019) 162: 612-630 [PMID:30476825]
ChEMBL Inhibition of HDAC3 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 7.68 pIC50 21 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of human KDAC3 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method B 7.7 pIC50 20 nM IC50 J Med Chem (2016) 59: 1613-1633 [PMID:26681404]
ChEMBL Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation B 7.85 pIC50 14 nM IC50 Bioorg Med Chem Lett (2016) 26: 5222-5228 [PMID:27717544]
ChEMBL Inhibition of recombinant full length human C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in baculovirus infected insect cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay B 7.85 pIC50 14 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay B 7.96 pIC50 11 nM IC50 J Med Chem (2009) 52: 7836-7846 [PMID:19705846]
ChEMBL Inhibition of human HDAC3 using RHKK(Ac) as substrate B 7.98 pIC50 10.4 nM IC50 Eur J Med Chem (2018) 150: 667-677 [PMID:29567459]
ChEMBL Inhibition of recombinant human HDAC3 using RHK-K(Ac)-AMC as substrate by fluorescence based assay B 7.98 pIC50 10.4 nM IC50 Eur J Med Chem (2020) 190: 112086-112086 [PMID:32058238]
ChEMBL Inhibition of human HDAC3 by fluorimetric assay B 7.99 pIC50 10.32 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC3 complexed with NCOR2 using fluorogenic tetrapeptide RHKKAc as susbtrate B 7.99 pIC50 10.3 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC3 B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
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 8.02 pIC50 9.6 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of HDAC3 by in vitro deacetylation assay B 8.3 pIC50 5 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs B 8.7 pIC50 2 nM IC50 J Med Chem (2010) 53: 1347-1356 [PMID:20055418]
ChEMBL Inhibition of HDAC3 after 17 hrs B 8.7 pIC50 2 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
ChEMBL Inhibition of HDAC3 B 8.7 pIC50 2 nM IC50 J Med Chem (2008) 51: 3437-3448 [PMID:18494463]
ChEMBL Inhibition of HDAC3 B 9.22 pIC50 0.6 nM IC50 Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442]
histone deacetylase 3/Histone deacetylase 3/NCoR1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038484] [GtoPdb: 2617] [UniProtKB: O15379O75376]
ChEMBL Inhibition of recombinant human HDAC3/NCOR1 complex expressed in insect cells assessed as residual enzyme activity preincubated for 1 hr followed by addition of fluorogenic Ac-LGK-ac-AMC as substrate for 30 mins by fluorescence analysis B 9.27 pKi 0.54 nM Ki Medchemcomm (2016) 7: 464-470
GtoPdb - - 9.3 pKi 0.5 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
histone deacetylase 3/Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111363] [GtoPdb: 2617] [UniProtKB: O15379Q9Y618]
ChEMBL Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged recombinant human NCOR2 (395 to 489 residues) expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate after 60 mins by fluorimeter B 9.08 pKi 0.84 nM Ki J Med Chem (2018) 61: 3454-3477 [PMID:29589441]
GtoPdb - - 9.3 pKi 0.5 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay B 9.59 pKi 0.26 nM Ki Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569]
ChEMBL Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminaL GST-tagged human recombinant NCOR2 (395 to 489 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry analysis B 7.6 pIC50 25.3 nM IC50 Eur J Med Chem (2020) 187: 111915-111915 [PMID:31838329]
ChEMBL Inhibition of recombinant full-length human HDAC3/NCOR2 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 7.8 pIC50 15.7 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
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 insect cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay B 7.89 pIC50 13 nM IC50 Eur J Med Chem (2019) 162: 321-333 [PMID:30448419]
ChEMBL Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay B 7.96 pIC50 11.07 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay B 8.05 pIC50 9 nM IC50 Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569]
histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524]
ChEMBL Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis B 4.84 pKi 14547 nM Ki ACS Med Chem Lett (2013) 4: 757-761 [PMID:24900743]
GtoPdb - - 5.85 pKi 1400 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC4 B 5.85 pKi 1400 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
ChEMBL Inhibition of HDAC4 (unknown origin) B 5.85 pKi 1400 nM Ki Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of N-terminal GST-tagged recombinant human HDAC4 assessed as hydrolase activity using fluorogenic Ac-AC-LGK-tfa-AMC-AMC as substrate measured after 60 mins by fluorescence analysis B 6.01 pKi 980 nM Ki Medchemcomm (2016) 7: 464-470
ChEMBL Inhibition of human HDAC4 B 6.4 pKi 400 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay B 5.04 pIC50 9100 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of human HDAC4 by fluorescence assay B 5.07 pIC50 8439 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of HDAC4 by fluorescence assay B 5.11 pIC50 7690 nM IC50 Bioorg Med Chem Lett (2011) 21: 1218-1221 [PMID:21256006]
ChEMBL Inhibition of recombinant full-length human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay B 5.18 pIC50 6600 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay B 5.42 pIC50 3800 nM IC50 Eur J Med Chem (2019) 161: 277-291 [PMID:30366254]
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 HDAC4 expressed in 293T cells B 6.7 pIC50 200 nM IC50 Bioorg Med Chem (2008) 16: 437-445 [PMID:17900911]
ChEMBL Inhibition of human recombinant HDAC4 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 6.91 pIC50 122 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of human recombinant HDAC4 using p53 residues 379-382 (RHKKAc) as substrate B 7.07 pIC50 85 nM IC50 Bioorg Med Chem (2013) 21: 5339-5354 [PMID:23820574]
ChEMBL Inhibition of human HDAC4 expressed in 293T cells B 7.2 pIC50 62.9 nM IC50 Bioorg Med Chem Lett (2008) 18: 2982-2984 [PMID:18397826]
ChEMBL Inhibition of HDAC4 B 7.36 pIC50 44 nM IC50 Bioorg Med Chem Lett (2010) 20: 997-999 [PMID:20045316]
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 7.46 pIC50 34.8 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of recombinant human HDAC4 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate measured after 30 mins by fluorescence assay B 7.47 pIC50 34 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of HDAC4 B 7.47 pIC50 34 nM IC50 J Med Chem (2006) 49: 4809-4812 [PMID:16884291]
ChEMBL Inhibition of human recombinant HDAC4 expressed in 293 cells B 7.47 pIC50 34 nM IC50 J Med Chem (2007) 50: 5425-5438 [PMID:17929798]
ChEMBL Inhibition of HDAC4 by fluorimetric assay B 7.47 pIC50 34 nM IC50 Bioorg Med Chem Lett (2012) 22: 6770-6772 [PMID:23021104]
ChEMBL Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader B 7.47 pIC50 34 nM IC50 Bioorg Med Chem (2014) 22: 3850-3855 [PMID:24997578]
ChEMBL Inhibition of human HDAC4 B 7.54 pIC50 29 nM IC50 Bioorg Med Chem Lett (2007) 17: 4895-4900 [PMID:17588744]
ChEMBL Inhibition of human histone deacetylase 4 prepared from 293T cells B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2004) 14: 5343-5346 [PMID:15454224]
ChEMBL Inhibition of human HDAC4 using fluorogenic tetrapeptide RHKKAc as substrate B 7.92 pIC50 12.1 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC4 by fluorimetric assay B 7.92 pIC50 12.07 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC4 B 7.92 pIC50 12 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of HDAC4 by in vitro deacetylation assay B 8.1 pIC50 8 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of human HDAC4 expressed in 293T cells B 8.7 pIC50 2 nM IC50 Bioorg Med Chem (2007) 15: 7830-7839 [PMID:17881232]
ChEMBL Inhibition of acetylation of histone-4 in human T-24 cancer cells F 5.4 pEC50 4000 nM EC50 J Med Chem (2003) 46: 5097-5116 [PMID:14613312]
ChEMBL Inhibition of acetylation of histone-4 in human T-24 cancer cells F 6 pEC50 1000 nM EC50 J Med Chem (2003) 46: 5097-5116 [PMID:14613312]
histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6]
ChEMBL Inhibition of human recombinant HDAC5 by Michaelis-Menten equation analysis B 5.39 pKi 4120 nM Ki ACS Med Chem Lett (2013) 4: 757-761 [PMID:24900743]
ChEMBL Inhibition of human HDAC5 B 6.59 pKi 260 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC5 B 6.59 pKi 260 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
GtoPdb - - 6.59 pKi 260 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC5 by fluorescence assay B 5.21 pIC50 6155 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of HDAC5 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay B 5.85 pIC50 1400 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of recombinant full-length human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay B 5.96 pIC50 1090 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
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 6.11 pIC50 776 nM IC50 ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464]
ChEMBL Inhibition of human HDAC5 using fluorogenic tetrapeptide RHKKAc as substrate B 7.78 pIC50 16.5 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC5 by fluorimetric assay B 7.78 pIC50 16.48 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC5 B 7.8 pIC50 16 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
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 7.9 pIC50 12.5 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of human recombinant HDAC5 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 8.09 pIC50 8.08 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of HDAC5 by in vitro deacetylation assay B 8.22 pIC50 6 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
histone deacetylase 5/Histone deacetylase 5 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2768] [GtoPdb: 2660] [UniProtKB: Q9Z2V6]
ChEMBL Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2004) 14: 2427-2431 [PMID:15109626]
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
ChEMBL Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis B 8.52 pKi 3.02 nM Ki ACS Med Chem Lett (2013) 4: 757-761 [PMID:24900743]
GtoPdb - - 9 pKi 1 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC6 B 9 pKi 1 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC6 B 9 pKi 1 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
ChEMBL Inhibition of recombinant HDAC6 B 9 pKi 0.99 nM Ki Eur J Med Chem (2010) 45: 2095-2116 [PMID:20223566]
ChEMBL Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as substrate after 90 mins by fluorimeter B 9.24 pKi 0.58 nM Ki J Med Chem (2018) 61: 3454-3477 [PMID:29589441]
ChEMBL Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay B 9.89 pKi 0.13 nM Ki Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569]
ChEMBL Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay B 5.44 pIC50 3600 nM IC50 Bioorg Med Chem (2020) 28: 115250-115250 [PMID:31924504]
ChEMBL Inhibition of human HDAC6 using RHKK(Ac) as substrate B 5.59 pIC50 2600 nM IC50 Eur J Med Chem (2018) 150: 667-677 [PMID:29567459]
ChEMBL Inhibition of HDAC6 (unknown origin) B 5.92 pIC50 1210 nM IC50 Eur J Med Chem (2018) 150: 506-524 [PMID:29549837]
ChEMBL Inhibition of HDAC6 by fluorescence assay B 6.22 pIC50 600 nM IC50 Bioorg Med Chem Lett (2011) 21: 1218-1221 [PMID:21256006]
ChEMBL Inhibition of HDAC6 expressed in 293T cells B 6.55 pIC50 280 nM IC50 Bioorg Med Chem (2008) 16: 437-445 [PMID:17900911]
ChEMBL Inhibitory concentration against histone deacetylase 6 B 7.04 pIC50 91 nM IC50 Bioorg Med Chem Lett (2005) 15: 4427-4431 [PMID:16137884]
ChEMBL Inhibition of human HDAC6 expressed in 293T cells B 7.08 pIC50 83.3 nM IC50 Bioorg Med Chem Lett (2008) 18: 2982-2984 [PMID:18397826]
ChEMBL Inhibition of HDAC6 B 7.09 pIC50 81 nM IC50 J Med Chem (2006) 49: 4809-4812 [PMID:16884291]
ChEMBL Inhibition of HDAC6 by fluorimetric assay B 7.19 pIC50 65 nM IC50 Bioorg Med Chem Lett (2012) 22: 6770-6772 [PMID:23021104]
ChEMBL Inhibition of HDAC6 B 7.19 pIC50 65 nM IC50 Bioorg Med Chem Lett (2010) 20: 997-999 [PMID:20045316]
ChEMBL Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method B 7.19 pIC50 65 nM IC50 Bioorg Med Chem (2015) 23: 6785-6793 [PMID:26481659]
ChEMBL Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis B 7.25 pIC50 56 nM IC50 Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351]
ChEMBL Inhibition of human HDAC6 B 7.28 pIC50 53 nM IC50 Bioorg Med Chem Lett (2007) 17: 4895-4900 [PMID:17588744]
ChEMBL Inhibition of human HDAC6 using rhodamine as substrate after 1 hrs by fluorescence assay B 7.29 pIC50 51 nM IC50 Bioorg Med Chem (2011) 19: 4626-4634 [PMID:21723733]
ChEMBL Inhibition of human KDAC6 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method B 7.42 pIC50 38 nM IC50 J Med Chem (2016) 59: 1613-1633 [PMID:26681404]
ChEMBL Inhibition of human recombinant histone deacetylase 6 B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2009) 19: 688-692 [PMID:19111466]
ChEMBL Inhibition of human histone deacetylase 6 prepared from 293T cells B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2004) 14: 5343-5346 [PMID:15454224]
ChEMBL Inhibition of full length recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay B 7.77 pIC50 16.8 nM IC50 J Med Chem (2021) 64: 4810-4840 [PMID:33830764]
ChEMBL Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay B 7.77 pIC50 16.8 nM IC50 Bioorg Med Chem Lett (2008) 18: 2809-2812 [PMID:18430569]
ChEMBL Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis B 7.8 pIC50 16 nM IC50 Bioorg Med Chem Lett (2016) 26: 4955-4959 [PMID:27650925]
ChEMBL Inhibition of human full-length recombinant HDAC6 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay B 7.82 pIC50 15 nM IC50 Eur J Med Chem (2021) 222: 113569-113569 [PMID:34111829]
ChEMBL Inhibition of human recombinant HDAC6 after 30 mins using fluorogenic substrate by fluorimetric assay B 7.82 pIC50 15 nM IC50 J Med Chem (2018) 61: 6574-6591 [PMID:30004697]
ChEMBL Inhibition of HDAC6 B 7.89 pIC50 13 nM IC50 Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442]
ChEMBL Inhibition of human HDAC6 using fluorogenic HDAC substrate B 8.03 pIC50 9.3 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of recombinant human HDAC6 by fluorimetry B 8.05 pIC50 9 nM IC50 J Med Chem (2016) 59: 655-670 [PMID:26705137]
ChEMBL Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured after 15 mins by fluorogenic assay B 8.05 pIC50 8.92 nM IC50 Bioorg Med Chem (2019) 27: 3408-3420 [PMID:31235266]
ChEMBL Inhibition of HADC6 (unknown origin) B 8.07 pIC50 8.6 nM IC50 J Med Chem (2020) 63: 23-39 [PMID:31415174]
ChEMBL Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay B 8.07 pIC50 8.5 nM IC50 J Med Chem (2018) 61: 10299-10309 [PMID:30365892]
ChEMBL Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay B 8.09 pIC50 8.2 nM IC50 Bioorg Med Chem Lett (2014) 24: 5497-5501 [PMID:25455492]
ChEMBL Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis B 8.11 pIC50 7.8 nM IC50 Bioorg Med Chem Lett (2016) 26: 4955-4959 [PMID:27650925]
ChEMBL Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 90 mins by fluorimetry analysis B 8.21 pIC50 6.12 nM IC50 Eur J Med Chem (2020) 187: 111915-111915 [PMID:31838329]
ChEMBL Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay B 8.22 pIC50 6 nM IC50 J Med Chem (2009) 52: 7836-7846 [PMID:19705846]
ChEMBL Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as substrate by fluorimetric assay B 8.23 pIC50 5.9 nM IC50 Eur J Med Chem (2019) 162: 321-333 [PMID:30448419]
ChEMBL Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate B 8.3 pIC50 5 nM IC50 J Med Chem (2020) 63: 295-308 [PMID:31793776]
ChEMBL Inhibition of human HDAC6 (unknown origin) B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2020) 30: 127023-127023 [PMID:32067866]
ChEMBL Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2016) 26: 5222-5228 [PMID:27717544]
ChEMBL Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate B 8.34 pIC50 4.53 nM IC50 Eur J Med Chem (2021) 217: 113338-113338 [PMID:33744690]
ChEMBL Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay B 8.34 pIC50 4.53 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
ChEMBL Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 90 mins by fluorescence assay B 8.45 pIC50 3.55 nM IC50 J Med Chem (2018) 61: 905-917 [PMID:29304284]
ChEMBL Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay B 8.45 pIC50 3.55 nM IC50 Eur J Med Chem (2019) 162: 612-630 [PMID:30476825]
ChEMBL Inhibition of human HDAC6 using RHKKAc peptide as substrate B 8.46 pIC50 3.49 nM IC50 J Med Chem (2018) 61: 7087-7102 [PMID:30028616]
ChEMBL Inhibition of human recombinant HDAC6 using RHKKAcAMC as substrate by fluorescence assay B 8.5 pIC50 3.13 nM IC50 Eur J Med Chem (2018) 152: 329-357 [PMID:29738953]
ChEMBL Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay B 8.52 pIC50 3 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay B 8.59 pIC50 2.6 nM IC50 Eur J Med Chem (2020) 190: 112086-112086 [PMID:32058238]
ChEMBL Inhibition of human recombinant HDAC6 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 8.64 pIC50 2.31 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay B 8.64 pIC50 2.3 nM IC50 ACS Med Chem Lett (2017) 8: 510-515 [PMID:28523102]
ChEMBL Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as substrate measured after 90 mins by fluorescence plate reader assay B 8.68 pIC50 2.11 nM IC50 Bioorg Med Chem (2021) 50: 116454-116454 [PMID:34634618]
ChEMBL Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay B 8.68 pIC50 2.09 nM IC50 Eur J Med Chem (2018) 143: 2005-2014 [PMID:29150335]
ChEMBL Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay B 8.7 pIC50 2 nM IC50 J Med Chem (2019) 62: 8557-8577 [PMID:31414801]
ChEMBL Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay B 8.7 pIC50 2 nM IC50 Eur J Med Chem (2019) 161: 277-291 [PMID:30366254]
ChEMBL Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay B 8.71 pIC50 1.94 nM IC50 Eur J Med Chem (2019) 184: 111755-111755 [PMID:31627059]
ChEMBL Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate incubated for 90 mins by fluorescence assay B 8.77 pIC50 1.72 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Inhibition of human recombinant HDAC6 using p53 residues 379-382 (RHKKAc) as substrate B 8.8 pIC50 1.6 nM IC50 Bioorg Med Chem (2013) 21: 5339-5354 [PMID:23820574]
ChEMBL Inhibition of recombinant full-length human HDAC6 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 8.81 pIC50 1.56 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected Sf9 insect cells using RHKK(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay B 8.82 pIC50 1.5 nM IC50 Bioorg Med Chem (2021) 35: 116085-116085 [PMID:33668008]
ChEMBL Inhibition of human HDAC6 by fluorescence assay B 8.82 pIC50 1.5 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
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 8.85 pIC50 1.4 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate B 8.92 pIC50 1.2 nM IC50 J Med Chem (2012) 55: 9891-9899 [PMID:23009203]
ChEMBL Inhibition of HDAC6 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 8.96 pIC50 1.1 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of HDAC6 B 9 pIC50 1 nM IC50 J Med Chem (2008) 51: 3437-3448 [PMID:18494463]
ChEMBL Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs B 9 pIC50 1 nM IC50 J Med Chem (2010) 53: 1347-1356 [PMID:20055418]
ChEMBL Inhibition of HDAC6 after 17 hrs B 9 pIC50 1 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
ChEMBL Inhibition of human recombinant HDAC6 expressed in baculovirus/sf9 cells using RHKKAc as substrate B 9.05 pIC50 0.9 nM IC50 J Med Chem (2013) 56: 6775-6791 [PMID:23905680]
ChEMBL Inhibition of HDAC6 by in vitro deacetylation assay B 9.1 pIC50 0.8 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of human HDAC6 by fluorimetric assay B 9.38 pIC50 0.42 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate B 9.38 pIC50 0.42 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC6 B 9.4 pIC50 0.4 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA B 8.28 pEC50 5.2 nM EC50 Bioorg Med Chem Lett (2016) 26: 154-159 [PMID:26611919]
histone deacetylase 6/Histone deacetylase 6 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2878] [GtoPdb: 2618] [UniProtKB: Q9Z2V5]
ChEMBL Inhibition of mouse recombinant HDAC6 expressed in 293 cells B 7.09 pIC50 81 nM IC50 J Med Chem (2007) 50: 5425-5438 [PMID:17929798]
ChEMBL Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader B 7.19 pIC50 65 nM IC50 Bioorg Med Chem (2014) 22: 3850-3855 [PMID:24997578]
ChEMBL Inhibition of recombinant mouse HDAC6 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate measured after 30 mins by fluorescence assay B 7.19 pIC50 65 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibitory activity against histone deacetylase 6 prepared from mouse melanoma B16/BL6 cells B 7.55 pIC50 28 nM IC50 Bioorg Med Chem Lett (2004) 14: 2427-2431 [PMID:15109626]
ChEMBL Inhibition of recombinant mouse HDAC6 expressed in HEK293T cells co-expressing mouse HDA2 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins in presence of DTT by fluorescence assay B 7.55 pIC50 28 nM IC50 Bioorg Med Chem (2018) 26: 1920-1928 [PMID:29519604]
ChEMBL Inhibition of mouse HDAC6 expressed in 293T cells B 8.55 pIC50 2.8 nM IC50 Bioorg Med Chem (2007) 15: 7830-7839 [PMID:17881232]
histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4]
ChEMBL Inhibition of N-terminal 6His-tagged recombinant human HDAC7 assessed as hydrolase activity using fluorogenic AC-LGK-tfa-AMC as substrate measured after 60 mins by fluorescence analysis B 6.52 pKi 300 nM Ki Medchemcomm (2016) 7: 464-470
ChEMBL Inhibition of human HDAC7 B 6.71 pKi 195 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC7 B 6.71 pKi 195 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
GtoPdb - - 6.71 pKi 195 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of recombinant full-length human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay B 5.38 pIC50 4170 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay B 5.64 pIC50 2300 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
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 6.32 pIC50 482 nM IC50 ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464]
ChEMBL Inhibition of HDAC7 by in vitro deacetylation assay B 6.7 pIC50 200 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 6.71 pIC50 197 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of human recombinant HDAC7 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 6.86 pIC50 139 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate B 7.65 pIC50 22.5 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC7 by fluorimetric assay B 7.65 pIC50 22.46 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC7 B 7.66 pIC50 22 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
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 5.44 pIC50 3620 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 recombinant human HDAC8 expressed in Escherichia coli assessed as hydrolase activity using fluorogenic AC-LGK-tfa-AMC as substrate measured after 60 mins by fluorescence analysis B 6.7 pKi 200 nM Ki Medchemcomm (2016) 7: 464-470
ChEMBL Inhibition of recombinant HDAC8 B 6.89 pKi 130 nM Ki Eur J Med Chem (2010) 45: 2095-2116 [PMID:20223566]
ChEMBL Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis B 7.16 pKi 69.65 nM Ki ACS Med Chem Lett (2013) 4: 757-761 [PMID:24900743]
ChEMBL Activity of human HDAC8 B 7.35 pKi 45 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC8 B 7.35 pKi 45 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
ChEMBL Inhibition of C-terminal His-tagged human recombinant full-length HDAC8 expressed in baculovirus expression system assessed as reduction in 7-amino-4-methylcoumarin by fluorescence based assay B 7.35 pKi 45 nM Ki Eur J Med Chem (2017) 141: 188-196 [PMID:29031066]
GtoPdb - - 8.35 pKi 4.5 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of HDAC8 by fluorescence assay B 4.14 pIC50 73100 nM IC50 Bioorg Med Chem Lett (2011) 21: 1218-1221 [PMID:21256006]
ChEMBL Inhibition of human KDAC8 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method B 5.34 pIC50 4550 nM IC50 J Med Chem (2016) 59: 1613-1633 [PMID:26681404]
ChEMBL Inhibition of HDAC8 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs B 5.86 pIC50 1380 nM IC50 J Med Chem (2010) 53: 1347-1356 [PMID:20055418]
ChEMBL Inhibition of HDAC8 B 5.86 pIC50 1380 nM IC50 J Med Chem (2008) 51: 3437-3448 [PMID:18494463]
ChEMBL Inhibition of HDAC8 (unknown origin) after 30 mins by fluorometric analysis B 5.87 pIC50 1360 nM IC50 Bioorg Med Chem (2013) 21: 4201-4209 [PMID:23719282]
ChEMBL Inhibition of human HDAC8 using RHKAcKAc as substrate B 5.99 pIC50 1020 nM IC50 Eur J Med Chem (2018) 150: 667-677 [PMID:29567459]
ChEMBL Inhibition of recombinant C-terminal His-tagged human HDAC8 (1 to 377 residues) expressed in Baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay B 6 pIC50 990 nM IC50 Eur J Med Chem (2019) 162: 321-333 [PMID:30448419]
ChEMBL Inhibition of N terminal hexahistidine-tagged human HDAC8 expressed in Sf9 cells after 1 hr by fluorescence assay B 6.02 pIC50 960 nM IC50 Bioorg Med Chem (2011) 19: 4626-4634 [PMID:21723733]
ChEMBL Inhibition of recombinant C-terminal His-tagged and N-terminal Streptavidin2-tagged human HDAC8 (1 to 377 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay B 6.03 pIC50 944 nM IC50 Eur J Med Chem (2020) 187: 111915-111915 [PMID:31838329]
ChEMBL Inhibition of recombinant human HDAC8 using RHK-K(Ac)-AMC as substrate by fluorescence based assay B 6.09 pIC50 820 nM IC50 Eur J Med Chem (2020) 190: 112086-112086 [PMID:32058238]
ChEMBL Inhibition of human recombinant histone deacetylase 8 B 6.11 pIC50 770 nM IC50 Bioorg Med Chem Lett (2009) 19: 688-692 [PMID:19111466]
ChEMBL Inhibition of recombinant C-terminal His-fusion tagged/N-terminal Strep2 tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate measured after 60 mins by fluorescence plate reader assay B 6.16 pIC50 697 nM IC50 Bioorg Med Chem (2021) 50: 116454-116454 [PMID:34634618]
ChEMBL Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay B 6.19 pIC50 650 nM IC50 Bioorg Med Chem (2020) 28: 115250-115250 [PMID:31924504]
ChEMBL Inhibition of C-terminal His-tagged recombinant human HDAC8 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay B 6.22 pIC50 609 nM IC50 J Med Chem (2018) 61: 10299-10309 [PMID:30365892]
ChEMBL Inhibition of human HDAC8 using RHKAcKAc peptide as substrate B 6.25 pIC50 566 nM IC50 J Med Chem (2018) 61: 7087-7102 [PMID:30028616]
ChEMBL Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay B 6.31 pIC50 490 nM IC50 J Med Chem (2018) 61: 1552-1575 [PMID:29360358]
ChEMBL Inhibition of human HDAC8 using RHKAcKAc as substrate by fluorescence assay B 6.37 pIC50 427 nM IC50 Eur J Med Chem (2019) 162: 612-630 [PMID:30476825]
ChEMBL Inhibition of human full-length recombinant C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay B 6.38 pIC50 420 nM IC50 Eur J Med Chem (2021) 222: 113569-113569 [PMID:34111829]
ChEMBL Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins by microplate reader analysis B 6.41 pIC50 390 nM IC50 Bioorg Med Chem Lett (2012) 22: 6621-6627 [PMID:23010266]
ChEMBL Inhibition of recombinant C-terminal His-fusion tagged and N-terminal Streptavidin2-tagged human HDAC8 (1 to 377 residues) expressed in insect cells using fluorogenic peptide p53 residues 379-382 (RHK(Ac)K(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay B 6.43 pIC50 371 nM IC50 J Med Chem (2020) 63: 4256-4292 [PMID:32212730]
ChEMBL Inhibition of recombinant human HDAC8 by fluorimetry B 6.44 pIC50 360 nM IC50 J Med Chem (2016) 59: 655-670 [PMID:26705137]
ChEMBL Inhibition of recombinant human HDAC8 using fluorogenic substrate by fluorescence assay B 6.5 pIC50 314 nM IC50 Eur J Med Chem (2017) 125: 1268-1278 [PMID:27886544]
ChEMBL Inhibition of human recombinant HDAC8 using [RHKK(Ac)] fluorogenic substrate B 6.5 pIC50 314 nM IC50 Eur J Med Chem (2021) 217: 113338-113338 [PMID:33744690]
ChEMBL Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay B 6.51 pIC50 307.4 nM IC50 Eur J Med Chem (2016) 116: 126-135 [PMID:27060764]
ChEMBL Inhibition of HDAC8 B 6.52 pIC50 300 nM IC50 Bioorg Med Chem (2010) 18: 4103-4110 [PMID:20472442]
ChEMBL Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay B 6.55 pIC50 280 nM IC50 J Med Chem (2018) 61: 6574-6591 [PMID:30004697]
ChEMBL Inhibition of recombinant full-length human HDAC8 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay B 6.63 pIC50 232 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
ChEMBL Inhibition of human HDAC8 by fluorescence assay B 6.71 pIC50 196 nM IC50 J Med Chem (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 6.77 pIC50 170 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
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 6.78 pIC50 165 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method B 6.8 pIC50 160 nM IC50 Bioorg Med Chem (2015) 23: 6785-6793 [PMID:26481659]
ChEMBL Inhibition of human recombinant HDAC8 expressed in baculovirus/sf9 cells using RHKAcKAc as substrate B 6.89 pIC50 129 nM IC50 J Med Chem (2013) 56: 6775-6791 [PMID:23905680]
ChEMBL Inhibition of HDAC8 (unknown origin) by ELISA B 6.9 pIC50 125 nM IC50 Eur J Med Chem (2018) 148: 73-85 [PMID:29454918]
ChEMBL Inhibition of HDAC8 by in vitro deacetylation assay B 7 pIC50 100 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
ChEMBL Inhibition of human HDAC8 B 7.05 pIC50 90 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of human HDAC8 by fluorimetric assay B 7.05 pIC50 89.53 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate B 7.05 pIC50 89.5 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human histone deacetylase 8 prepared from 293T cells B 7.4 pIC50 40 nM IC50 Bioorg Med Chem Lett (2004) 14: 5343-5346 [PMID:15454224]
ChEMBL Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay B 7.6 pIC50 25 nM IC50 J Med Chem (2009) 52: 7836-7846 [PMID:19705846]
ChEMBL Inhibition of HDAC8 after 17 hrs B 8.86 pIC50 1.38 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
histone deacetylase 8/Histone deacetylase 8 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2347] [GtoPdb: 2619] [UniProtKB: Q8VH37]
ChEMBL Inhibitory activity against histone deacetylase 8 prepared from mouse melanoma B16/BL6 cells B 7.4 pIC50 40 nM IC50 Bioorg Med Chem Lett (2004) 14: 2427-2431 [PMID:15109626]
histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0]
ChEMBL Inhibition of human HDAC9 B 6.1 pKi 800 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of human HDAC9 B 6.1 pKi 800 nM Ki Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120]
GtoPdb - - 6.1 pKi 800 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay B 5.3 pIC50 5000 nM IC50 Bioorg Med Chem Lett (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of recombinant full-length human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay B 5.31 pIC50 4920 nM IC50 Eur J Med Chem (2018) 158: 620-706 [PMID:30245394]
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 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 7.15 pIC50 70.1 nM IC50 US-9265734-B2. Compositions including 6-aminohexanoic acid derivatives as HDAC inhibitors (2016)
ChEMBL Inhibition of human HDAC9 by fluorimetric assay B 7.42 pIC50 38.12 nM IC50 J Med Chem (2010) 53: 8387-8399 [PMID:21073160]
ChEMBL Inhibition of human HDAC9 using fluorogenic tetrapeptide RHKKAc as substrate B 7.42 pIC50 38.1 nM IC50 Eur J Med Chem (2014) 79: 251-259 [PMID:24742384]
ChEMBL Inhibition of human HDAC9 B 7.42 pIC50 38 nM IC50 Bioorg Med Chem Lett (2009) 19: 2346-2349 [PMID:19285395]
ChEMBL Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins B 7.7 pIC50 20.1 nM IC50 J Med Chem (2011) 54: 4350-4364 [PMID:21548582]
ChEMBL Inhibition of HDAC9 by in vitro deacetylation assay B 7.7 pIC50 20 nM IC50 Nat Chem Biol (2010) 6: 25-33 [PMID:19966789]
Histone deacetylase HD1B in Zea mays (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3541] [UniProtKB: Q9ZTP8]
ChEMBL Inhibition of maize HD1B B 9.4 pIC50 0.4 nM IC50 J Med Chem (2006) 49: 6046-6056 [PMID:17004718]
ChEMBL Inhibition of maize histone deacetylase 1B B 9.4 pIC50 0.4 nM IC50 Eur J Med Chem (2008) 43: 621-632 [PMID:17698257]
Histone deacetylase HD2 in Zea mays (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4919] [UniProtKB: Q94F81]
ChEMBL Binding affinity against Histone deacetylase 2 (HD2) in maize, expressed as binding constant (pKi) B 8.36 pKi 4.37 nM Ki J Med Chem (2002) 45: 1778-1784 [PMID:11960489]
ChEMBL Experimental anti-HDAC (anti-histone deacetylase) activity of the compound B 8.36 pKi 4.37 nM Ki J Med Chem (2001) 44: 2069-2072 [PMID:11405644]
ChEMBL Inhibition of maize histone deacetylase 2 B 8.14 pIC50 7.2 nM IC50 J Med Chem (2004) 47: 1351-1359 [PMID:14998325]
ChEMBL Inhibitory concentration against histone deacetylase activity B 8.14 pIC50 7.2 nM IC50 J Med Chem (2001) 44: 2069-2072 [PMID:11405644]
ChEMBL Concentration required for inhibition of histone deacetylase HD2 in vitro. B 8.14 pIC50 7.2 nM IC50 J Med Chem (2004) 47: 1098-1109 [PMID:14971890]
ChEMBL Inhibitory activity against maize Histone deacetylase 2 at 1 mM B 8.14 pIC50 7.2 nM IC50 J Med Chem (2003) 46: 4826-4829 [PMID:14584932]
ChEMBL Inhibition of maize Histone deacetylase 2 B 8.15 pIC50 7.08 nM IC50 J Med Chem (2004) 47: 1351-1359 [PMID:14998325]
ChEMBL Inhibition of maize HD2 B 8.15 pIC50 7 nM IC50 J Med Chem (2006) 49: 6046-6056 [PMID:17004718]
ChEMBL In vitro for anti-HD2 (Histone deacetylase 2) activity in maize B 8.15 pIC50 7 nM IC50 J Med Chem (2002) 45: 1778-1784 [PMID:11960489]
ChEMBL Inhibitory concentration against maize histone deacetylase 2 B 8.15 pIC50 7 nM IC50 J Med Chem (2005) 48: 3344-3353 [PMID:15857140]
ChEMBL Inhibition of maize Histone deacetylase 2 (HD-2) activity B 8.52 pIC50 3 nM IC50 J Med Chem (1999) 42: 4669-4679 [PMID:10579829]
ChEMBL Inhibitory concentration against maize Histone deacetylase 2 B 8.52 pIC50 3 nM IC50 J Med Chem (2003) 46: 5097-5116 [PMID:14613312]
ChEMBL Inhibitory concentration against maize Histone deacetylase 2 B 8.52 pIC50 3 nM IC50 J Med Chem (2003) 46: 5097-5116 [PMID:14613312]
ChEMBL Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation B 8.52 pIC50 3 nM IC50 J Med Chem (2002) 45: 3296-3309 [PMID:12109913]
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 6.15 pKi 700 nM Ki Bioorg Med Chem Lett (2009) 19: 3651-3656 [PMID:19457659]
ChEMBL Inhibition of Bordetella / Alcaligenes strain FB188 HDAH by fluorimetric assay B 5.92 pIC50 1200 nM IC50 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 6/NAD-dependent protein deacetylase sirtuin-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163182] [GtoPdb: 2712] [UniProtKB: Q8N6T7]
ChEMBL Binding affinity to recombinant human full length SIRT6 (1 to 355 residues) expressed in Escherichia coli M15 after 20 mins in presence of ADP-ribose by fluorescence-based SDS-denaturation assay B 4.48 pKd 33000 nM Kd J Med Chem (2018) 61: 10922-10928 [PMID:30395713]
ChEMBL Binding affinity to recombinant human full length SIRT6 (1 to 355 residues) expressed in Escherichia coli M15 after 20 mins in presence of ADP-ribose and acetylated H3K9 peptide by fluorescence-based SDS-denaturation assay B 4.54 pKd 29000 nM Kd J Med Chem (2018) 61: 10922-10928 [PMID:30395713]
ChEMBL Inhibition of full length SIRT6 (unknown origin) using acetylated H3K9 peptide as substrate after 2 hrs in presence of NAD B 5.7 pKi 2000 nM Ki J Med Chem (2018) 61: 10922-10928 [PMID:30395713]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 by [3H]hypoxanthine uptake F 7.8 pIC50 16 nM IC50 J Med Chem (2009) 52: 2185-2187 [PMID:19317450]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 after 48 hrs by LDH reporter assay F 7.81 pIC50 15.6 nM IC50 Bioorg Med Chem (2008) 16: 5254-5265 [PMID:18362073]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 after 48 hrs by LDH reporter assay F 7.81 pIC50 15.49 nM IC50 Bioorg Med Chem (2008) 16: 5254-5265 [PMID:18362073]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in O+ human erythrocytes by [3H]hypoxanthine incorporation assay F 7.96 pIC50 11 nM IC50 Antimicrob Agents Chemother (2008) 52: 1454-1461 [PMID:18212103]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 after 48 hrs by LDH reporter assay F 8 pIC50 10 nM IC50 Bioorg Med Chem (2008) 16: 5254-5265 [PMID:18362073]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 after 48 hrs by LDH reporter assay F 8.01 pIC50 9.77 nM IC50 Bioorg Med Chem (2008) 16: 5254-5265 [PMID:18362073]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 infected in O+ human erythrocytes by [3H]hypoxanthine incorporation assay F 8.1 pIC50 8 nM IC50 Antimicrob Agents Chemother (2008) 52: 1454-1461 [PMID:18212103]
ChEMBL Antimalarial activity against Plasmodium falciparum infected in erythrocytes after 2 hrs F 8.1 pIC50 8 nM IC50 Eur J Med Chem (2014) 82: 204-213 [PMID:24904967]
ChEMBL Antiplasmodial activity against Plasmodium falciparum F 8.1 pIC50 8 nM IC50 Eur J Med Chem (2018) 158: 801-813 [PMID:30245402]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay F 6.7 pEC50 200.2 nM EC50 Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay F 6.77 pEC50 170.8 nM EC50 Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783]
Splicing factor 3B subunit 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250378] [UniProtKB: Q15393]
ChEMBL Inhibition of SAP130 in VEGF-stimulated human U251 cells by PLAP reporter gene assay B 6.21 pIC50 611.2 nM IC50 Nat Chem Biol (2007) 3: 570-575 [PMID:17643112]
ChEMBL Inhibition of SAP130 mediated cell growth in human WiDr cells B 6.24 pIC50 577.6 nM IC50 Nat Chem Biol (2007) 3: 570-575 [PMID:17643112]

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]