belinostat [Ligand Id: 7496] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL408513 (Beleodaq, Belinostat, NSC-726630, NSC726630, PX-105684, PXD-101, PXD101) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Aspartyl/asparaginyl beta-hydroxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680030] [UniProtKB: Q12797] | ||||||||
| ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with high 200 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis | B | 4.95 | pIC50 | 11200 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
| ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis | B | 5.13 | pIC50 | 7490 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
| ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using high 10 uM hFX-CP as substrate mixture with 10 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis | B | 5.32 | pIC50 | 4770 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
| ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and high 20 uM FAS incubated for 35 mins by MS analysis | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
| bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885] | ||||||||
| ChEMBL | Inhibition of BRD4 (unknown origin) | B | 7.57 | pIC50 | 27 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4051-4055 [PMID:28765013] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by automated patch clamp assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496] |
| ChEMBL | Inhibition of human ERG by automated Q-patch assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2011) 54: 4752-4772 [PMID:21650221] |
| Histone deacetylase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5541] [UniProtKB: Q9XYC7] | ||||||||
| ChEMBL | Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed by substrate addition measured after 10 min by fluorescence assay | B | 6.67 | pIC50 | 214.7 | nM | IC50 | J Med Chem (2017) 60: 4780-4804 [PMID:28241112] |
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assay | B | 7.59 | pKi | 26 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| ChEMBL | Inhibition of human HDAC1 | B | 9.05 | pKi | 0.9 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 9.07 | pKi | 0.85 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC1 | B | 9.07 | pKi | 0.85 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay | B | 7.2 | pIC50 | 63 | nM | IC50 | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| ChEMBL | Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay | B | 7.32 | pIC50 | 48 | nM | IC50 | Eur J Med Chem (2016) 122: 92-101 [PMID:27344487] |
| ChEMBL | Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 7.7 | pIC50 | 20 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of HDAC1 in HEK293 cells | B | 7.74 | pIC50 | 18 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of purified recombinant HDAC1 | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay | B | 8.86 | pIC50 | 1.38 | nM | IC50 | Bioorg Med Chem (2019) 27: 1595-1604 [PMID:30879863] |
| GtoPdb | - | - | 7.39 | pEC50 | 41 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8] | ||||||||
| ChEMBL | Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay | B | 7.23 | pKi | 59 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay | B | 7.57 | pKi | 27 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay | B | 7.66 | pKi | 22 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| ChEMBL | Inhibition of human HDAC2 | B | 9.05 | pKi | 0.9 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 9.07 | pKi | 0.85 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC2 | B | 9.07 | pKi | 0.85 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 7.3 | pIC50 | 50 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay | B | 7.31 | pIC50 | 49 | nM | IC50 | Eur J Med Chem (2016) 122: 92-101 [PMID:27344487] |
| GtoPdb | - | - | 6.9 | pEC50 | 125 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assay | B | 7.72 | pKi | 19 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| GtoPdb | - | - | 8.82 | pKi | 1.5 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC3 | B | 8.82 | pKi | 1.5 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC3 | B | 8.82 | pKi | 1.5 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of HDAC3 in HEK293 cells | B | 7.34 | pIC50 | 46 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of recombinant human FLAG-tagged HDAC3 expressed in human HEK293F cells co-expressing His6-tagged SMRT (1 to 899 residues) using Fluor-de-lys substrate as substrate incubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay | B | 8.14 | pIC50 | 7.3 | nM | IC50 | ACS Med Chem Lett (2021) 12: 540-547 [PMID:33854701] |
| GtoPdb | - | - | 7.52 | pEC50 | 30 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| GtoPdb | - | - | 6.42 | pKi | 380 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC4 | B | 6.42 | pKi | 380 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC4 | B | 6.42 | pKi | 380 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay | B | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| ChEMBL | Inhibition of recombinant human full length HDAC4 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of HDAC4 H976Y mutant expressed in Escherichia coli | B | 7.62 | pIC50 | 24 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| GtoPdb | - | - | 6.94 | pEC50 | 115 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of human HDAC5 | B | 6.76 | pKi | 175 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC5 | B | 6.76 | pKi | 175 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 6.76 | pKi | 175 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay | B | 7.6 | pKi | 25 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| ChEMBL | Inhibition of human HDAC6 | B | 8.8 | pKi | 1.6 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC6 | B | 8.8 | pKi | 1.6 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 8.8 | pKi | 1.6 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay | B | 5.19 | pIC50 | 6432 | nM | IC50 | Bioorg Med Chem (2019) 27: 1595-1604 [PMID:30879863] |
| ChEMBL | Inhibition of HADC6 (unknown origin) | B | 7.09 | pIC50 | 82 | nM | IC50 | J Med Chem (2020) 63: 23-39 [PMID:31415174] |
| ChEMBL | Inhibition of full length recombinant human HDAC6 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay | B | 7.3 | pIC50 | 50 | nM | IC50 | Eur J Med Chem (2016) 122: 92-101 [PMID:27344487] |
| ChEMBL | Inhibition of HDAC6 in HEK293 cells | B | 7.82 | pIC50 | 15 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 8.01 | pIC50 | 9.85 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| GtoPdb | - | - | 7.09 | pEC50 | 82 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| GtoPdb | - | - | 7.12 | pKi | 75 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC7 | B | 7.12 | pKi | 75 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC7 | B | 7.12 | pKi | 75 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay | B | 7.29 | pKi | 51 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| GtoPdb | - | - | 7.17 | pEC50 | 67 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| GtoPdb | - | - | 7.6 | pKi | 25 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Activity of human HDAC8 | B | 7.6 | pKi | 25 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC8 | B | 7.6 | pKi | 25 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay | B | 7.66 | pKi | 22 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| ChEMBL | Inhibition of HDAC8 (unknown origin) | B | 5.45 | pIC50 | 3530 | nM | IC50 | Eur J Med Chem (2019) 164: 214-240 [PMID:30594678] |
| ChEMBL | Inhibition of HDAC8 (unknown origin) | B | 6.45 | pIC50 | 353 | nM | IC50 | Eur J Med Chem (2018) 150: 282-291 [PMID:29533873] |
| ChEMBL | Inhibition of His-tagged full length recombinant human HDAC8 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay | B | 6.7 | pIC50 | 200 | nM | IC50 | Eur J Med Chem (2016) 122: 92-101 [PMID:27344487] |
| ChEMBL | Inhibition of recombinant human full length HDAC8 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis | B | 7.15 | pIC50 | 70 | nM | IC50 | Eur J Med Chem (2017) 134: 13-23 [PMID:28395150] |
| ChEMBL | Inhibition of HDAC8 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay | B | 7.17 | pIC50 | 67.85 | nM | IC50 | Bioorg Med Chem (2019) 27: 1595-1604 [PMID:30879863] |
| GtoPdb | - | - | 6.67 | pEC50 | 216 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| GtoPdb | - | - | 6.6 | pKi | 250 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC9 | B | 6.6 | pKi | 250 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC9 | B | 6.6 | pKi | 250 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay | B | 7.62 | pKi | 24 | nM | Ki | J Med Chem (2011) 54: 4694-4720 [PMID:21634430] |
| GtoPdb | - | - | 6.89 | pEC50 | 128 | nM | EC50 | Biochem J (2008) 409: 581-9 [PMID:17868033] |
| 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] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against Plasmodium falciparum infected in human erythrocytes preincubated for 48 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting assay | F | 7.22 | pIC50 | 60 | nM | IC50 | J Med Chem (2017) 60: 4780-4804 [PMID:28241112] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 48 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 7.22 | pIC50 | 60 | nM | IC50 | Eur J Med Chem (2018) 158: 801-813 [PMID:30245402] |
| ChEMBL | Antimalarial activity against Plasmodium falciparum Dd2 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation preincubated for 48 hrs followed by [3H]-hypoxanthine addition measured after 24 hrs by scintillation counting method | F | 7.22 | pIC50 | 60 | nM | IC50 | Eur J Med Chem (2018) 158: 801-813 [PMID:30245402] |
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]
