scriptaid [Ligand Id: 7505] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL96051 (GNF-Pf-2024, SJ000016636) |
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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] | ||||||||
| GtoPdb | - | - | 8.82 | pKi | 1.5 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC1 | B | 8.82 | pKi | 1.5 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| 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 | 5.76 | pIC50 | 1740 | nM | IC50 | Eur J Med Chem (2019) 162: 321-333 [PMID:30448419] |
| ChEMBL | Inhibition of HADC1 (unknown origin) | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2020) 63: 23-39 [PMID:31415174] |
| ChEMBL | Inhibition of HDAC1 by in vitro deacetylation assay | B | 6.7 | pIC50 | 200 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8] | ||||||||
| ChEMBL | Inhibition of HDAC10 by in vitro deacetylation assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC11 after 30 mins using fluorogenic substrate by fluorimetric assay | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2018) 61: 6574-6591 [PMID:30004697] |
| ChEMBL | Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay | B | 5.28 | pIC50 | 5200 | nM | IC50 | ACS Med Chem Lett (2019) 10: 863-868 [PMID:31223439] |
| ChEMBL | Inhibition of HDAC11 (unknown origin) measured by fluorometry assay | B | 5.28 | pIC50 | 5200 | nM | IC50 | Eur J Med Chem (2022) 240: 114573-114573 [PMID:35797900] |
| 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 | 6.44 | pIC50 | 360 | nM | IC50 | Eur J Med Chem (2019) 162: 321-333 [PMID:30448419] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Inhibition of human HDAC2 | B | 8.66 | pKi | 2.2 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 8.66 | pKi | 2.2 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC2 by in vitro deacetylation assay | B | 6.15 | pIC50 | 700 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Inhibition of human HDAC3 | B | 8.39 | pKi | 4.1 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 8.39 | pKi | 4.1 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HADC3 (unknown origin) | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2020) 63: 23-39 [PMID:31415174] |
| ChEMBL | Inhibition of HDAC3 by in vitro deacetylation assay | B | 7 | pIC50 | 100 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| 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] | ||||||||
| GtoPdb | - | - | 8.39 | pKi | 4.1 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| 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 | 6.43 | pIC50 | 370 | nM | IC50 | Eur J Med Chem (2019) 162: 321-333 [PMID:30448419] |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| GtoPdb | - | - | 5.12 | pKi | 7500 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC4 | B | 5.12 | pKi | 7500 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC4 by in vitro deacetylation assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| GtoPdb | - | - | 6 | pKi | 1000 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC5 | B | 6 | pKi | 1000 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC5 by in vitro deacetylation assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| GtoPdb | - | - | 9.6 | pKi | 0.25 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC6 | B | 9.6 | pKi | 0.25 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| 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 | 7.92 | pIC50 | 12 | nM | IC50 | Eur J Med Chem (2019) 162: 321-333 [PMID:30448419] |
| ChEMBL | Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis | B | 7.92 | pIC50 | 12 | nM | IC50 | Eur J Med Chem (2019) 162: 321-333 [PMID:30448419] |
| ChEMBL | Inhibition of HDAC6 by in vitro deacetylation assay | B | 8 | pIC50 | 10 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| ChEMBL | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate | B | 8.07 | pIC50 | 8.57 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| ChEMBL | Inhibition of human HDAC7 | B | 5.65 | pKi | 2250 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 5.65 | pKi | 2250 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC7 by in vitro deacetylation assay | B | 5.68 | pIC50 | 2100 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| 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 | 5.75 | pIC50 | 1770 | 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 | Activity of human HDAC8 | B | 6.98 | pKi | 105 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 6.98 | pKi | 105 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| 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 | 5.82 | pIC50 | 1520 | nM | IC50 | Eur J Med Chem (2019) 162: 321-333 [PMID:30448419] |
| ChEMBL | Inhibition of HADC8 (unknown origin) | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2020) 63: 23-39 [PMID:31415174] |
| ChEMBL | Inhibition of HDAC8 by in vitro deacetylation assay | B | 6.52 | pIC50 | 300 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| ChEMBL | Inhibition of human HDAC9 | B | 5.1 | pKi | 8000 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 5.1 | pKi | 8000 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of HDAC9 by in vitro deacetylation assay | B | 6.15 | pIC50 | 700 | nM | IC50 | Nat Chem Biol (2010) 6: 25-33 [PMID:19966789] |
| 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 | ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye | F | 5.42 | pEC50 | 3782.9 | nM | EC50 | Nature (2010) 465: 311-315 [PMID:20485428] |
| ChEMBL | ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye | F | 5.65 | pEC50 | 2222.4 | nM | EC50 | Nature (2010) 465: 311-315 [PMID:20485428] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | F | 6.25 | pEC50 | 563 | 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 | 6.79 | pEC50 | 164 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
ChEMBL data shown on this page come from version 34:
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]
