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ChEMBL ligand: CHEMBL316034 (2,4-Pyridine Dicarboxylic Acid, Pyridine-2,4-Dicarboxylic Acid) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Alpha-ketoglutarate-dependent dioxygenase FTO in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2331065] [UniProtKB: Q9C0B1] | ||||||||
ChEMBL | Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as inhibition of 3-methylthymidine conversion to thymidine after 1 hr by liquid chromatographic analysis | B | 5.08 | pIC50 | 8300 | nM | IC50 | J Med Chem (2013) 56: 3680-3688 [PMID:23547775] |
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 | 7 | pIC50 | 100 | 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 | 7.52 | pIC50 | 30 | 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 | 7.7 | pIC50 | 20 | 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 | 7.7 | pIC50 | 20 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
Beta-lactamase in Aeromonas hydrophila (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3885662] [UniProtKB: Q44079] | ||||||||
ChEMBL | Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 8.0 | B | 4.46 | pKi | 35000 | nM | Ki | Antimicrob Agents Chemother (2007) 51: 2136-2142 [PMID:17307979] |
ChEMBL | Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 7.0 | B | 4.77 | pKi | 17000 | nM | Ki | Antimicrob Agents Chemother (2007) 51: 2136-2142 [PMID:17307979] |
ChEMBL | Inhibition of Aeromonas hydrophila beta lactamase CphA by competitive inhibition assay | B | 5.35 | pKi | 4500 | nM | Ki | Antimicrob Agents Chemother (2007) 51: 2136-2142 [PMID:17307979] |
egl-9 family hypoxia inducible factor 1/Egl nine homolog 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5697] [GtoPdb: 2833] [UniProtKB: Q9GZT9] | ||||||||
ChEMBL | Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis | B | 6.38 | pKd | 420 | nM | Kd | J Med Chem (2013) 56: 547-555 [PMID:23234607] |
ChEMBL | Inhibition of human recombinant PHD2 | B | 5.15 | pKi | 7000 | nM | Ki | J Med Chem (2008) 51: 7053-7056 [PMID:18942826] |
ChEMBL | Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis | B | 5.15 | pIC50 | 7000 | nM | IC50 | Bioorg Med Chem (2019) 27: 2405-2412 [PMID:30737136] |
ChEMBL | Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence assay | B | 5.21 | pIC50 | 6100 | nM | IC50 | J Med Chem (2010) 53: 5629-5638 [PMID:20684604] |
ChEMBL | Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2013) 56: 547-555 [PMID:23234607] |
egl-9 family hypoxia inducible factor 3/Egl nine homolog 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5705] [GtoPdb: 2834] [UniProtKB: Q9H6Z9] | ||||||||
ChEMBL | Inhibition of human recombinant HIF PHD3 | B | 5.15 | pKi | 7000 | nM | Ki | J Med Chem (2008) 51: 7053-7056 [PMID:18942826] |
Hypoxia-inducible factor 1-alpha inhibitor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5909] [UniProtKB: Q9NWT6] | ||||||||
ChEMBL | Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQGSRNLLQGEELLRALDQVN peptide/100 uM alpha-ketoglutarate as substrate/cofactor incubated for 45 mins by MALDI assay | B | 5.07 | pIC50 | 8600 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
egl-9 family hypoxia inducible factor 2/Hypoxia-inducible factor prolyl hydroxylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3028] [GtoPdb: 2832] [UniProtKB: Q96KS0] | ||||||||
ChEMBL | Inhibition of human recombinant HIF PHD1 | B | 5.15 | pKi | 7000 | nM | Ki | J Med Chem (2008) 51: 7053-7056 [PMID:18942826] |
ChEMBL | Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence assay | B | 5.82 | pIC50 | 1500 | nM | IC50 | J Med Chem (2010) 53: 5629-5638 [PMID:20684604] |
lysine demethylase 2A/Lysine-specific demethylase 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1938210] [GtoPdb: 2671] [UniProtKB: Q9Y2K7] | ||||||||
ChEMBL | Inhibition of KDM2A (unknown origin) expressed in Escherichia coli using Biotin H3 (28 to 48 residues) Me2 KDM2A Cognate Ligande/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 15 mins followed by substrate addition measured after 30 mins by alphascreen assay | B | 4.89 | pIC50 | 12800 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Inhibition of KDM2A (unknown origin) | B | 5.39 | pIC50 | 4100 | nM | IC50 | J Med Chem (2013) 56: 7222-7231 [PMID:23964788] |
ChEMBL | Inhibition of KDM2A (unknown origin) | B | 5.4 | pIC50 | 3981.07 | nM | IC50 | Medchemcomm (2014) 5: 1879-1886 [PMID:26682034] |
lysine demethylase 3A/Lysine-specific demethylase 3A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1938209] [GtoPdb: 2673] [UniProtKB: Q9Y4C1] | ||||||||
ChEMBL | Inhibition of KDM3A (unknown origin) | B | 5.1 | pIC50 | 7943.28 | nM | IC50 | Medchemcomm (2014) 5: 1879-1886 [PMID:26682034] |
ChEMBL | Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 20 mins by alphascreen assay | B | 5.48 | pIC50 | 3300 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
lysine demethylase 4A/Lysine-specific demethylase 4A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5896] [GtoPdb: 2675] [UniProtKB: O75164] | ||||||||
ChEMBL | Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay | B | 5.38 | pIC50 | 4200 | nM | IC50 | J Med Chem (2010) 53: 5629-5638 [PMID:20684604] |
ChEMBL | Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay | B | 5.38 | pIC50 | 4200 | nM | IC50 | J Med Chem (2013) 56: 7222-7231 [PMID:23964788] |
GtoPdb | FDH (formaldehyde dehydrogenase) coupled assay. | - | 6.15 | pIC50 | 700 | nM | IC50 | J Med Chem (2008) 51: 7053-6 [PMID:18942826] |
ChEMBL | Inhibition of human JMJD2A by FDH coupled assay | B | 6.15 | pIC50 | 700 | nM | IC50 | J Med Chem (2008) 51: 7053-7056 [PMID:18942826] |
lysine demethylase 4C/Lysine-specific demethylase 4C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6175] [GtoPdb: 2677] [UniProtKB: Q9H3R0] | ||||||||
ChEMBL | Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay | B | 4.89 | pKi | 13000 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 5811-5813 [PMID:22917519] |
ChEMBL | Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using ARK(Me3)STGGK peptide/alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis | B | 8.66 | pKi | 2.2 | nM | Ki | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay | B | 4.41 | pIC50 | 39000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 5811-5813 [PMID:22917519] |
ChEMBL | Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay | B | 5.03 | pIC50 | 9400 | nM | IC50 | J Med Chem (2010) 53: 5629-5638 [PMID:20684604] |
ChEMBL | Inhibition of KDM4C (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay | B | 5.09 | pIC50 | 8200 | nM | IC50 | J Med Chem (2013) 56: 7222-7231 [PMID:23964788] |
ChEMBL | Inhibition of KDM4C (unknown origin) | B | 5.6 | pIC50 | 2511.89 | nM | IC50 | Medchemcomm (2014) 5: 1879-1886 [PMID:26682034] |
ChEMBL | Inhibition of KDM4C | B | 5.62 | pIC50 | 2400 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 5811-5813 [PMID:22917519] |
ChEMBL | Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 250 uM ARK(Me3)STGGK peptide/50 uM alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis | B | 5.72 | pIC50 | 1900 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 50 uM ARK(Me3)STGGK peptide/50 uM alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis | B | 5.82 | pIC50 | 1500 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated peptide/ 2 uM alpha-ketoglutarate as substrate/cofactor preincubated for 15 mins followed by substrate addition measured after 15 mins by alphascreen assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using ARTKQTARK(Me3)STGGKA peptide/100 uM alpha-ketoglutarate as substrate/cofactor incubated for 45 mins by MALDI assay | B | 6.21 | pIC50 | 620 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 50 uM ARK(Me3)STGGK peptide/5 uM alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis | B | 6.28 | pIC50 | 530 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated histone H3 (1 to 21 residues) lysine 9 trimethylated peptide/2 uM alpha-ketoglutarate as substrate/cofactor measured after 45 mins by TR-FRET assay | B | 6.73 | pIC50 | 188 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
lysine demethylase 4D/Lysine-specific demethylase 4D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6138] [GtoPdb: 2678] [UniProtKB: Q6B0I6] | ||||||||
ChEMBL | Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 20 mins by alphascreen assay | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
lysine demethylase 4E/Lysine-specific demethylase 4D-like in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293226] [GtoPdb: 2679] [UniProtKB: B2RXH2] | ||||||||
ChEMBL | Inhibition of KDM4E (unknown origin) | B | 5.2 | pIC50 | 6309.57 | nM | IC50 | Medchemcomm (2014) 5: 1879-1886 [PMID:26682034] |
GtoPdb | FDH (formaldehyde dehydrogenase) coupled assay. | - | 5.85 | pIC50 | 1400 | nM | IC50 | J Med Chem (2008) 51: 7053-6 [PMID:18942826] |
lysine demethylase 5A/Lysine-specific demethylase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424504] [GtoPdb: 2680] [UniProtKB: P29375] | ||||||||
ChEMBL | Inhibition of KDM5A (unknown origin) using H3K4me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (2013) 56: 7222-7231 [PMID:23964788] |
ChEMBL | Inhibition of KDM5A (1 to 797 residues) (unknown origin) expressed in insect sf21 cells using ARTK(Me3)QTARKSTGGKAPRK peptide/ 100 uM alpha-ketoglutarate as substrate/cofactor incubated for 45 mins by MALDI assay | B | 6.12 | pIC50 | 760 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
lysine demethylase 5B/Lysine-specific demethylase 5B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3774295] [GtoPdb: 2681] [UniProtKB: Q9UGL1] | ||||||||
ChEMBL | Inhibition of recombinant KDM5B catalytic domain (1 to 769 residues) (unknown origin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2019) 161: 131-140 [PMID:30343192] |
ChEMBL | Inhibition of KDM5B (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K4Me3-GGK-Biotin KDM5B Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 20 mins by alphascreen assay | B | 5.57 | pIC50 | 2700 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
lysine demethylase 5C/Lysine-specific demethylase 5C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163176] [GtoPdb: 2682] [UniProtKB: P41229] | ||||||||
ChEMBL | Inhibition of KDM5C (unknown origin) | B | 6.3 | pIC50 | 501.19 | nM | IC50 | Medchemcomm (2014) 5: 1879-1886 [PMID:26682034] |
lysine demethylase 6B/Lysine-specific demethylase 6B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1938211] [GtoPdb: 2685] [UniProtKB: O15054] | ||||||||
ChEMBL | Inhibition of KDM6B (unknown origin) expressed in Escherichia coli using H3 (21 to 44 residues) K27Me3-GGK-Biotin JMJD3 Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 5 mins by alphascreen assay | B | 4.35 | pIC50 | 44600 | nM | IC50 | J Med Chem (2016) 59: 1580-1598 [PMID:26699912] |
ChEMBL | Inhibition of KDM6B (unknown origin) | B | 4.5 | pIC50 | 31622.78 | nM | IC50 | Medchemcomm (2014) 5: 1879-1886 [PMID:26682034] |
lysine demethylase 7A/Lysine-specific demethylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163177] [GtoPdb: 2686] [UniProtKB: Q6ZMT4] | ||||||||
ChEMBL | Inhibition of KDM7A (unknown origin) using K27me2 peptide as substrate by MALDI assay | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (2013) 56: 7222-7231 [PMID:23964788] |
Prolyl 4-hydroxylase in Paramecium bursaria Chlorella virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523368] [UniProtKB: Q84406] | ||||||||
ChEMBL | Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-incubated for 5 mins before 2OG as substrate and Fe2 as co-factor addition in presence of L-ascorbate and measured after 5 mins MALDI TOF MS analysis | B | 5.48 | pKi | 3280 | nM | Ki | Bioorg Med Chem (2019) 27: 2405-2412 [PMID:30737136] |
ChEMBL | Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-incubated for 5 mins before 2OG as substrate and Fe2 as co-factor addition in presence of L-ascorbate and measured after 5 mins MALDI TOF MS analysis | B | 5.28 | pIC50 | 5300 | nM | IC50 | Bioorg Med Chem (2019) 27: 2405-2412 [PMID:30737136] |
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]