quisinostat [Ligand Id: 7503] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2105763 (JNJ 26481585, JNJ-26481585, Quisinostat) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method | B | 8.14 | pKi | 7.3 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method | B | 9.32 | pKi | 0.48 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC1 | B | 10.52 | pKi | 0.03 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) | B | 8.37 | pIC50 | 4.26 | nM | IC50 | Eur J Med Chem (2019) 164: 214-240 [PMID:30594678] |
| ChEMBL | Inhibition of full-length HDAC1 (unknown origin) by Color-de-Lys assay | B | 8.77 | pIC50 | 1.7 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| ChEMBL | Inhibition of recombinant full length human HDAC1 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 9.21 | pIC50 | 0.62 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| 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 | 9.21 | pIC50 | 0.62 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant human full length C-terminal His/FLAG tagged HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells using Ac-peptide as substrate incubated for 4 hrs | B | 9.34 | pIC50 | 0.46 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Inhibition of recombinant full length 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 fluorimetry analysis | B | 9.96 | pIC50 | 0.11 | nM | IC50 | J Med Chem (2021) 64: 3392-3426 [PMID:33661013] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) | B | 9.96 | pIC50 | 0.11 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| GtoPdb | - | - | 9.96 | pIC50 | 0.11 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of human HDAC1 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay | B | 10 | pIC50 | 0.1 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate after 45 mins by fluorimetrc method | B | 8.36 | pKi | 4.4 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC10 | B | 10.3 | pKi | 0.05 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter gene-based BRET assay | B | 7.4 | pIC50 | 39.81 | nM | IC50 | J Med Chem (2019) 62: 4426-4443 [PMID:30964290] |
| ChEMBL | Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2019) 62: 4426-4443 [PMID:30964290] |
| ChEMBL | Inhibition of full-length HDAC10 (unknown origin) by Color-de-Lys assay | B | 8.55 | pIC50 | 2.8 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| ChEMBL | Inhibition of recombinant full length human HDAC10 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 8.71 | pIC50 | 1.96 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| 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 | 8.71 | pIC50 | 1.96 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of HDAC10 (unknown origin) | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC10 (unknown origin) | B | 9.34 | pIC50 | 0.46 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| GtoPdb | - | - | 9.34 | pIC50 | 0.46 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method | B | 5.89 | pKi | 1300 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC11 | B | 10.15 | pKi | 0.07 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of human HDAC11 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay | B | 9.4 | pIC50 | 0.4 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| GtoPdb | - | - | 9.43 | pIC50 | 0.37 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of HDAC11 (unknown origin) | B | 9.43 | pIC50 | 0.37 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method | B | 7.51 | pKi | 31 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC2 | B | 10.22 | pKi | 0.06 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of full-length HDAC2 (unknown origin) by Color-de-Lys assay | B | 8.3 | pIC50 | 5 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) | B | 8.37 | pIC50 | 4.26 | nM | IC50 | Eur J Med Chem (2019) 164: 214-240 [PMID:30594678] |
| 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 | 8.67 | pIC50 | 2.16 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant full length human HDAC2 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 8.67 | pIC50 | 2.16 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| ChEMBL | Inhibition of recombinant human full length C-terminal His tagged HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 insect cells using Ac-peptide as substrate incubated for 4 hrs | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| GtoPdb | - | - | 9.48 | pIC50 | 0.33 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of recombinant full length C-terminal GST fusion-tagged human HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorimetry analysis | B | 9.48 | pIC50 | 0.33 | nM | IC50 | J Med Chem (2021) 64: 3392-3426 [PMID:33661013] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) | B | 9.48 | pIC50 | 0.33 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| ChEMBL | Inhibition of human HDAC2 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay | B | 9.52 | pIC50 | 0.3 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate after 10 mins by spectrophotometric method | B | 8.37 | pKi | 4.3 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC3 | B | 8.68 | pKi | 2.1 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 8.31 | pIC50 | 4.86 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) | B | 8.31 | pIC50 | 4.86 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| ChEMBL | Inhibition of human C-terminal His tagged HDAC3 (1 to 428 residues) expressed in baculovirus-infected Sf9 cells using Ac-peptide as substrate incubated for 4 hrs | B | 8.68 | pIC50 | 2.1 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Inhibition of full-length HDAC3 (unknown origin) by Color-de-Lys assay | B | 8.74 | pIC50 | 1.8 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| histone deacetylase 3/Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111363] [GtoPdb: 2617] [UniProtKB: O15379, Q9Y618] | ||||||||
| ChEMBL | Inhibition of human HDAC3/NcoR2 expressed in sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| GtoPdb | - | - | 8.31 | pIC50 | 4.86 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using RHK-K(Ac)-AMCas substrate measured after 60 mins by fluorimetry analysis | B | 8.31 | pIC50 | 4.86 | nM | IC50 | J Med Chem (2021) 64: 3392-3426 [PMID:33661013] |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method | B | 8.17 | pKi | 6.7 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC4 | B | 9.52 | pKi | 0.3 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| 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 | 8.34 | pIC50 | 4.61 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant full length human HDAC4 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 8.34 | pIC50 | 4.61 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| GtoPdb | - | - | 9.19 | pIC50 | 0.64 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) | B | 9.19 | pIC50 | 0.64 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| ChEMBL | Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay | B | 9.22 | pIC50 | 0.6 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method | B | 8.37 | pKi | 4.3 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC5 | B | 8.68 | pKi | 2.1 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| 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 | 8.23 | pIC50 | 5.95 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant full length human HDAC5 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 8.23 | pIC50 | 5.95 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| ChEMBL | Inhibition of human HDAC5 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| GtoPdb | - | - | 8.43 | pIC50 | 3.69 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of HDAC5 (unknown origin) | B | 8.43 | pIC50 | 3.69 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate after 30 mins by fluorimetrc method | B | 6.46 | pKi | 350 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC6 | B | 7.77 | pKi | 16.9 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 7.11 | pIC50 | 76.8 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of human HDAC6 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay | B | 7.11 | pIC50 | 77 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of full length recombinant human HDAC6 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis | B | 7.11 | pIC50 | 76.8 | nM | IC50 | J Med Chem (2016) 59: 8967-9004 [PMID:27606546] |
| ChEMBL | Inhibition of recombinant full length N-terminal GST fusion-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as substrate measured after 90 mins by fluorimetry analysis | B | 7.11 | pIC50 | 76.8 | nM | IC50 | J Med Chem (2021) 64: 3392-3426 [PMID:33661013] |
| ChEMBL | Inhibition of recombinant human full length N-terminal GST tagged HDAC6 (1 to 1215 residues) expressed in baculovirus-infected Sf9 cells using Ac-peptide as substrate incubated for 4 hrs | B | 7.46 | pIC50 | 34.9 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| ChEMBL | Inhibition of human HDAC7 | B | 7.18 | pKi | 66.6 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate class 2a after 45 mins by fluorimetrc method | B | 8.77 | pKi | 1.7 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| GtoPdb | - | - | 6.92 | pIC50 | 119 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of human HDAC7 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay | B | 6.92 | pIC50 | 119 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| 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 | 8.39 | pIC50 | 4.04 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant full length human HDAC7 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 8.39 | pIC50 | 4.04 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| Histone deacetylase 8 in Schistosoma mansoni (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3797017] [UniProtKB: A5H660] | ||||||||
| ChEMBL | Binding affinity to Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method | B | 7.55 | pKd | 28.4 | nM | Kd | J Med Chem (2018) 61: 10000-10016 [PMID:30347148] |
| ChEMBL | Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method | B | 6.52 | pIC50 | 303.4 | nM | IC50 | J Med Chem (2018) 61: 10000-10016 [PMID:30347148] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| ChEMBL | Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method | B | 7.64 | pKd | 22.7 | nM | Kd | J Med Chem (2018) 61: 10000-10016 [PMID:30347148] |
| ChEMBL | Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method | B | 7.62 | pKi | 24 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC8 | B | 9.3 | pKi | 0.5 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| ChEMBL | Inhibition of human His-thioredoxin-tagged HDAC8 mL1/mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method | B | 6.66 | pIC50 | 217 | nM | IC50 | J Med Chem (2018) 61: 10000-10016 [PMID:30347148] |
| ChEMBL | Inhibition of human His-thioredoxin-tagged HDAC8 mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method | B | 6.77 | pIC50 | 169 | nM | IC50 | J Med Chem (2018) 61: 10000-10016 [PMID:30347148] |
| ChEMBL | Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method | B | 7.19 | pIC50 | 64.4 | nM | IC50 | J Med Chem (2018) 61: 10000-10016 [PMID:30347148] |
| ChEMBL | Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus-infected Sf9 insect cells using Ac-peptide as substrate incubated for 4 hrs followed by trypsin addition and further incubated for 2 hrs | B | 8.04 | pIC50 | 9.2 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| GtoPdb | - | - | 8.37 | pIC50 | 4.26 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of HDAC8 (unknown origin) | B | 8.37 | pIC50 | 4.26 | nM | IC50 | Eur J Med Chem (2021) 216: 113332-113332 [PMID:33714914] |
| ChEMBL | Inhibition of human HDAC8 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKAcKAc) as substrate by fluorescence-based assay | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC9 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method | B | 8.28 | pKi | 5.3 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human HDAC9 | B | 8.42 | pKi | 3.8 | nM | Ki | Bioorg Med Chem (2015) 23: 5151-5155 [PMID:25637120] |
| GtoPdb | - | - | 7.49 | pIC50 | 32.1 | nM | IC50 | Clin Cancer Res (2009) 15: 6841-51 [PMID:19861438] |
| ChEMBL | Inhibition of human HDAC9 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay | B | 7.49 | pIC50 | 32 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| 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 | 8.17 | pIC50 | 6.7 | nM | IC50 | ACS Med Chem Lett (2020) 11: 56-64 [PMID:31938464] |
| ChEMBL | Inhibition of recombinant full length human HDAC9 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay | B | 8.17 | pIC50 | 6.7 | nM | IC50 | Eur J Med Chem (2020) 201: 112411-112411 [PMID:32615502] |
| Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960] | ||||||||
| ChEMBL | Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition of LTA4 as substrate measured after 15 mins by reverse-phase HPLC analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2017) 60: 1817-1828 [PMID:28218840] |
| sirtuin 1/NAD-dependent deacetylase sirtuin 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4506] [GtoPdb: 2707] [UniProtKB: Q96EB6] | ||||||||
| ChEMBL | Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| sirtuin 2/NAD-dependent deacetylase sirtuin 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4462] [GtoPdb: 2708] [UniProtKB: Q8IXJ6] | ||||||||
| ChEMBL | Inhibition of human recombinant SIRT2 using fluoro-lysine sirtuin 2 deacetylase substrate after 60 mins by fluorimetrc method | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| ChEMBL | Inhibition of human C-terminal His-tagged SIRT2 (50 to 356 residues) expressed in Escherichia coli using Ac-peptide as substrate incubated for 4 hrs followed by trypsin addition and further incubated for 2 hrs | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| sirtuin 3/NAD-dependent deacetylase sirtuin 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4461] [GtoPdb: 2709] [UniProtKB: Q9NTG7] | ||||||||
| ChEMBL | Inhibition of human recombinant SIRT3 using fluoro-lysine sirtuin 2 deacetylase substrate after 45 mins by fluorimetrc method | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| sirtuin 7/NAD-dependent protein deacetylase sirtuin-7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163184] [GtoPdb: 2713] [UniProtKB: Q9NRC8] | ||||||||
| ChEMBL | Inhibition of SIRT7 (unknown origin) | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2018) 28: 2985-2992 [PMID:30122227] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336] | ||||||||
| ChEMBL | Inhibition of full-length PI3Kalpha (unknown origin) expressed in baculovirus infected Sf9 cells by ADP-Glo luminescent kinase assay | B | 7.72 | pIC50 | 19 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/PI3-kinase p110-beta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3145] [GtoPdb: 2154] [UniProtKB: P42338] | ||||||||
| ChEMBL | Inhibition of full-length PI3Kbeta (unknown origin) expressed in baculovirus infected Sf9 cells by ADP-Glo luminescent kinase assay | B | 7.27 | pIC50 | 54 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329] | ||||||||
| ChEMBL | Inhibition of full-length PI3Kdelta (unknown origin) expressed in baculovirus infected Sf9 cells by ADP-Glo luminescent kinase assay | B | 7.41 | pIC50 | 39 | nM | IC50 | Eur J Med Chem (2022) 228: 114039-114039 [PMID:34894440] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity against asexual blood stage chloroquine-resistant Plasmodium falciparum Dd2 assessed as parasite growth inhibition incubated for 72 hrs by SYBR Green I staining based fluorescence analysis | F | 8.15 | pIC50 | 7.09 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Antimalarial activity against asexual blood stage wild-type Plasmodium falciparum 3D7 assessed as parasite growth inhibition incubated for 72 hrs by SYBR Green I staining based fluorescence analysis | F | 8.4 | pIC50 | 4.01 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Antimalarial activity against asexual blood stage quinine-resistant Plasmodium falcipuram C2A assessed as parasite growth inhibition incubated for 72 hrs by SYBR Green I staining based fluorescence analysis | F | 8.6 | pIC50 | 2.52 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Antimalarial activity against asexual blood stage sulfadoxine-pyrimethamine/mefloquine-resistant Plasmodium falcipuram CP286 assessed as parasite growth inhibition incubated for 72 hrs by SYBR Green I staining based fluorescence analysis | F | 8.69 | pIC50 | 2.04 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| ChEMBL | Antimalarial activity against asexual blood stage chloroquine-resistant Plasmodium falcipuram GB4 assessed as parasite growth inhibition incubated for 72 hrs by SYBR Green I staining based fluorescence analysis | F | 8.76 | pIC50 | 1.75 | nM | IC50 | J Med Chem (2022) 65: 4156-4181 [PMID:35175762] |
| Plasmodium falciparum histone deacetylase 1 in Plasmodium falciparum 3D7 [GtoPdb: 3072] [UniProtKB: Q7K6A1] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 8.28 | pEC50 | 5.2 | nM | EC50 | Cell Discov (2020) 6: 93 [PMID:33311461] |
| Plasmodium falciparum histone deacetylase 1 in Plasmodium falciparum Dd2 [GtoPdb: 3072] | ||||||||
| GtoPdb | Parasite growth inhibition assay | - | 8.15 | pEC50 | 7.1 | nM | EC50 | Cell Discov (2020) 6: 93 [PMID:33311461] |
ChEMBL data shown on this page come from version 35:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
