vorinostat [Ligand Id: 6852] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL98 (MK-0683, MK0683, NSC-701852, NSC-748799, NSC-759852, Suberoylanilide hydroxamic acid, Vorinostat, Zolinza)
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  • bromodomain containing 4/Bromodomain-containing protein 4 in Human [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
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  • DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
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  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • heat shock protein 90 alpha family class A member 1/Heat shock protein HSP 90-alpha in Human [ChEMBL: CHEMBL3880] [GtoPdb: 2905] [UniProtKB: P07900]
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  • Histone deacetylase in Plasmodium falciparum [ChEMBL: CHEMBL5541] [UniProtKB: Q9XYC7]
  • Plasmodium falciparum histone deacetylase 1/Histone deacetylase in Plasmodium falciparum 3D7 [ChEMBL: CHEMBL1293190] [GtoPdb: 3072] [UniProtKB: Q7K6A1]
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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]
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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
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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]
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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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  • euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 in Human [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7]
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  • hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035]
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  • Human immunodeficiency virus type 1 Tat protein in Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) [ChEMBL: CHEMBL4011] [UniProtKB: P04608]
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  • Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960]
  • Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Mouse [ChEMBL: CHEMBL3738] [GtoPdb: 1395] [UniProtKB: P24527]
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  • lysine demethylase 4E/Lysine-specific demethylase 4D-like in Human [ChEMBL: CHEMBL1293226] [GtoPdb: 2679] [UniProtKB: B2RXH2]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • sirtuin 5/NAD-dependent protein deacylase sirtuin-5, mitochondrial in Human [ChEMBL: CHEMBL2163183] [GtoPdb: 2711] [UniProtKB: Q9NXA8]
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  • MDM2 proto-oncogene/p53-binding protein Mdm-2 in Human [ChEMBL: CHEMBL5023] [GtoPdb: 3136] [UniProtKB: Q00987]
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  • phosphoinositide-3-kinase regulatory subunit 1/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha/p85-alpha in Human [ChEMBL: CHEMBL2111367] [GtoPdb: 25032153] [UniProtKB: P27986P42336]
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  • proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
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  • ABL proto-oncogene 1, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL in Human [ChEMBL: CHEMBL1862] [GtoPdb: 1923] [UniProtKB: P00519]
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  • Janus kinase 2/Tyrosine-protein kinase JAK2 in Human [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674]
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  • fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888]
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  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation after 24 hrs by thioflavin-T fluorescence method B 4.7 pIC50 >20000 nM IC50 Eur J Med Chem (2020) 192: 112193-112193 [PMID:32151835]
Apoptosis regulator BAX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5318] [UniProtKB: Q07812]
ChEMBL Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by FITC-BIM addition and measured after 20 mins by fluorescence polarization assay B 5 pEC50 >10000 nM EC50 J Med Chem (2020) 63: 12083-12099 [PMID:33021789]
bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
ChEMBL Inhibition of recombinant BRD4 bromodomain 1 (unknown origin) using histone H4 peptide as substrate incubated for 1 hr under dark condition by HTRF assay B 4.3 pIC50 >50000 nM IC50 Medchemcomm (2014) 5: 342-351
ChEMBL Inhibition of His-tagged BRD4 bromodomain 1 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265]
ChEMBL Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265]
ChEMBL Inhibition of BRD4 in human HL60 cells assessed as reduction in C-myc production after 24 hrs by ELISA B 6.13 pIC50 740 nM IC50 Bioorg Med Chem (2017) 25: 3677-3684 [PMID:28549889]
ChEMBL Inhibition of BRD4 (unknown origin) by ELISA B 7.37 pIC50 43.13 nM IC50 Bioorg Med Chem Lett (2021) 31: 127671-127671 [PMID:33229136]
ChEMBL Inhibition of BRD4 (unknown origin) B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2017) 27: 4051-4055 [PMID:28765013]
DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
ChEMBL Inhibition of human DNMT1 enzyme using polydeoxy-inosine polydeoxy-cytosine DNA as substrate incubated for 15 mins in presence of SAM by TR-FRET assay B 5 pIC50 >10000 nM IC50 J Med Chem (2021) 64: 3392-3426 [PMID:33661013]
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Inhibition of EGFR (unknown origin) B 6.05 pIC50 900 nM IC50 J Med Chem (2020) 63: 8977-9002 [PMID:32320239]
ChEMBL Inhibition of EGFR (unknown origin) B 7.92 pIC50 12 nM IC50 Eur J Med Chem (2021) 209: 112904-112904 [PMID:33077264]
histone deacetylase 1/HDAC1/REST corepressor 3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4296112] [GtoPdb: 2658] [UniProtKB: Q13547Q9P2K3]
ChEMBL Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence based assay B 8.52 pKi 3.04 nM Ki Bioorg Med Chem Lett (2018) 28: 1001-1004 [PMID:29496367]
GtoPdb - - 8.89 pKi 1.3 nM Ki Nat Chem Biol (2010) 6: 238-243 [PMID:20139990]
heat shock protein 90 alpha family class A member 1/Heat shock protein HSP 90-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3880] [GtoPdb: 2905] [UniProtKB: P07900]
ChEMBL Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay B 6 pIC50 >1000 nM IC50 Eur J Med Chem (2018) 150: 667-677 [PMID:29567459]
ChEMBL Inhibition of HSP90a (unknown origin) B 6 pIC50 >1000 nM IC50 Eur J Med Chem (2020) 190: 112086-112086 [PMID:32058238]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG by automated patch clamp assay B 4.52 pIC50 >30000 nM IC50 Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496]
ChEMBL Inhibition of human ERG by automated Q-patch assay B 4.52 pIC50 >30000 nM IC50 J Med Chem (2011) 54: 4752-4772 [PMID:21650221]
ChEMBL Inhibition of recombinant human ERG expressed in HEK293 cells at -80 mV holding potential measured for 9 mins by Qpatch clamp method B 4.52 pIC50 >30000 nM IC50 Bioorg Med Chem Lett (2017) 27: 4885-4888 [PMID:28947154]
ChEMBL Inhibition of human ERG B 6.49 pIC50 322 nM IC50 Eur J Med Chem (2020) 206: 112677-112677 [PMID:32823005]
Histone deacetylase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5541] [UniProtKB: Q9XYC7]
ChEMBL Inhibition of Plasmodium falciparum HDAC1 B 6.89 pIC50 130 nM IC50 J Med Chem (2010) 53: 6100-6111 [PMID:20669972]
ChEMBL Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S2 cells B 7.23 pIC50 59 nM IC50 J Med Chem (2009) 52: 2185-2187 [PMID:19317450]
Plasmodium falciparum histone deacetylase 1/Histone deacetylase in Plasmodium falciparum 3D7 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293190] [GtoPdb: 3072] [UniProtKB: Q7K6A1]
ChEMBL Inhibition of Plasmodium falciparum 3D7 histone deacetylase infected in human erythrocytes assessed as alteration of histone H3 acetylation after 3.5 hrs by SDS-PAGE B 7 pIC50 100 nM IC50 Antimicrob Agents Chemother (2008) 52: 3467-3477 [PMID:18644969]
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay B 7.4 pKd 40 nM Kd Bioorg Med Chem (2012) 20: 985-995 [PMID:22182579]
ChEMBL Inhibition of HDAC1 B 7.2 pKi 63 nM Ki Bioorg Med Chem Lett (2010) 20: 3314-3321 [PMID:20451378]
ChEMBL Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assay B 7.22 pKi 60 nM Ki J Med Chem (2011) 54: 4694-4720 [PMID:21634430]
ChEMBL Inhibition of HDAC1 B 7.32 pKi 48 nM Ki J Med Chem (2008) 51: 2898-2906 [PMID:18412327]
ChEMBL Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method B 7.92 pKi 12 nM Ki Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227]
ChEMBL Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys (Ac)-AMC substrate incubated for 30 mins by fluorescence assay B 8 pKi 10 nM Ki Medchemcomm (2014) 5: 1849-1855
ChEMBL Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins B 8.1 pKi 8 nM Ki J Med Chem (2014) 57: 9644-9657 [PMID:25380299]
ChEMBL Inhibition of recombinant human HDAC1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins B