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

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ChEMBL ligand: CHEMBL98 (MK-0683, Vorinostat, MK0683, Zolinza)
  • bromodomain containing 4/Bromodomain-containing protein 4 in Human [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
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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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  • hydroxymethylglutaryl-CoA reductase/HMG-CoA reductase in Human [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035]
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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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  • 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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  • Plasmodium falciparum (isolate FcB1 / Columbia) in Plasmodium falciparum FcB1/Columbia [ChEMBL: CHEMBL612608]
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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
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 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) B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2017) 27: 4051-4055 [PMID:28765013]
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]
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]
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 recombinant human HDAC1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins B 8.1 pKi 8 nM Ki J. Med. Chem. (2013) 56: 6512-6520 [PMID:23865683]
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 His-tagged human HDAC1 expressed in insect cells assessed as hydrolase activity using fluorogenic Ac-LGK-ac-AMC as substrate measured after 60 mins by fluorescence analysis B 8.19 pKi 6.4 nM Ki MedChemComm (2016) 7: 464-470
ChEMBL Inhibition of human HDAC1 B 8.89 pKi 1.3 nM Ki Nat. Chem. Biol. (2010) 6: 238-243 [PMID:20139990]
GtoPdb - - 8.89 pKi 1.3 nM Ki Nat. Chem. Biol. (2010) 6: 238-243 [PMID:20139990]
ChEMBL Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation B 5.66 pIC50 2200 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 3314-3321 [PMID:20451378]
ChEMBL Inhibition of HDAC1 in presence of DTT B 6.11 pIC50 775 nM IC50 J. Med. Chem. (2007) 50: 5720-5726 [PMID:17958342]
ChEMBL Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay B 6.22 pIC50 600 nM IC50 ACS Med. Chem. Lett. (2014) 5: 973-978 [PMID:25221651]
ChEMBL Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry B 6.22 pIC50 600 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 336-340 [PMID:19084395]
ChEMBL Inhibition of Histone deacetylase 1 (HDAC1) of HeLa nuclear extracts B 6.32 pIC50 480 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 449-453 [PMID:14698179]
ChEMBL Inhibition of human recombinant HDAC1 by fluorimetry B 6.46 pIC50 350 nM IC50 J. Med. Chem. (2009) 52: 2909-2922 [PMID:19419205]
ChEMBL Inhibition of HDAC1 (unknown origin) by fluorimetric assay B 6.46 pIC50 350 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 154-159 [PMID:26611919]
ChEMBL Inhibition of human HDAC1 by fluorescence assay B 6.49 pIC50 320 nM IC50 J. Med. Chem. (2013) 56: 427-436 [PMID:23252603]
ChEMBL Inhibition of HDAC1 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay B 6.51 pIC50 310 nM IC50 J. Med. Chem. (2014) 57: 8026-8034 [PMID:25238284]
ChEMBL Inhibition of full length His-tagged human recombinant HDAC1 expressed in baculovirus system using fluor de Lys as substrate by fluorometric analysis B 6.51 pIC50 310 nM IC50 Eur. J. Med. Chem. (2013) 66: 56-68 [PMID:23792316]
ChEMBL Inhibition of HDAC1 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay B 6.51 pIC50 310 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 4320-4324 [PMID:26264503]
ChEMBL Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay B 6.51 pIC50 306 nM IC50 J Med Chem (2016) 59: 8233-8262 [PMID:27541357]
ChEMBL Inhibition of HDAC1 (unknown origin) B 6.51 pIC50 306 nM IC50 Eur J Med Chem (2018) 158: 593-619 [PMID:30243158]
ChEMBL Inhibition of HDAC1 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay B 6.51 pIC50 306 nM IC50 ACS Med. Chem. Lett. (2013) 4: 779-783 [PMID:24015327]
ChEMBL Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using RHKKAc as substrate in presence of ATP B 6.51 pIC50 306 nM IC50 J Med Chem (2017) 60: 8336-8357 [PMID:28953386]
ChEMBL Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysis B 6.51 pIC50 306 nM IC50 Bioorg Med Chem Lett (2018) 28: 1357-1362 [PMID:29545103]
ChEMBL Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimetric assay B 6.52 pIC50 300 nM IC50 J. Med. Chem. (2014) 57: 6259-6265 [PMID:24972008]
ChEMBL Inhibition of HDAC1 by fluorescent activity assay B 6.54 pIC50 290 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 5735-5738 [PMID:21875796]
ChEMBL Inhibition of HDAC1 by fluorometric assay B 6.57 pIC50 270 nM IC50 J. Med. Chem. (2012) 55: 9562-9575 [PMID:23116147]
ChEMBL Inhibition of human HDAC-1 using RHKK(Ac) as substrate by fluorescence assay B 6.59 pIC50 260 nM IC50 J. Med. Chem. (2014) 57: 2258-2274 [PMID:24588105]
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