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ChEMBL ligand: CHEMBL2180727 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Glucokinase/Hexokinase type IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3820] [GtoPdb: 2798] [UniProtKB: P35557] | ||||||||
ChEMBL | Inhibition of recombinant human N-terminal GST-fused glucokinase expressed in Escherichia coli using glucose-6-phosphatedehydrogenase as substrate by spectrophotometric assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2019) 27: 589-603 [PMID:30600148] |
isocitrate dehydrogenase (NADP(+)) 1/Isocitrate dehydrogenase [NADP] cytoplasmic in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2007625] [GtoPdb: 2884] [UniProtKB: O75874] | ||||||||
GtoPdb | - | - | 4.89 | pKi | 13000 | nM | Ki | |
ChEMBL | Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | ACS Med Chem Lett (2012) 3: 850-855 [PMID:24900389] |
ChEMBL | Inhibition of wild type IDH1 (unknown origin) | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127070-127070 [PMID:32143887] |
ChEMBL | Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2019) 27: 589-603 [PMID:30600148] |
ChEMBL | Inhibition of IDH1 R132C mutant overexpressed in human HT1080 cells assessed as inhibition of 2-hydroxyglutarate production after 48 hrs by LC/MS analysis | B | 6.32 | pIC50 | 480 | nM | IC50 | ACS Med Chem Lett (2012) 3: 850-855 [PMID:24900389] |
ChEMBL | Inhibition of IDH1 R132C mutant (unknown origin) | B | 6.41 | pIC50 | 390 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127070-127070 [PMID:32143887] |
ChEMBL | Inhibition of IDH1 R132H mutant in human HT-1080 cells assessed as suppression of 2-HG production incubated for 48 hrs by LC-MS analysis | B | 6.6 | pIC50 | <250 | nM | IC50 | J Med Chem (2018) 61: 8981-9003 [PMID:29847930] |
ChEMBL | Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate addition | B | 6.64 | pIC50 | 226.8 | nM | IC50 | Bioorg Med Chem (2019) 27: 589-603 [PMID:30600148] |
ChEMBL | Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins followed by substrate addition and measured every 1 min | B | 6.7 | pIC50 | 200 | nM | IC50 | J Nat Prod (2019) 82: 2994-3001 [PMID:31674782] |
ChEMBL | Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate addition | B | 6.73 | pIC50 | 186.1 | nM | IC50 | Bioorg Med Chem (2019) 27: 589-603 [PMID:30600148] |
ChEMBL | Inhibition of IDH1 R132H mutant (unknown origin) | B | 6.77 | pIC50 | 170 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127070-127070 [PMID:32143887] |
ChEMBL | Inhibition of IDH1 R132C mutant using alpha-ketoglutarate as substrate after 60 mins by resazurin-based fluorimetric analysis | B | 6.8 | pIC50 | 160 | nM | IC50 | ACS Med Chem Lett (2012) 3: 850-855 [PMID:24900389] |
ChEMBL | Inhibition of IDH1 R132C mutant (unknown origin) | B | 6.8 | pIC50 | 160 | nM | IC50 | Bioorg Med Chem (2017) 25: 6379-6387 [PMID:29089260] |
ChEMBL | Inhibition of N-terminal 6-His-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in presence of NADPH incubated for 40 mins by fluorescence assay | B | 7.09 | pIC50 | 82 | nM | IC50 | Bioorg Med Chem (2019) 27: 3229-3236 [PMID:31208797] |
ChEMBL | Inhibition of His-tagged recombinant human IDH1 R132H mutant expressed in Escherichia coli Rosetta (DE3) preincubated for 30 mins followed by NADPH/alpha-KG addition and measured after 1 hr | B | 7.1 | pIC50 | 80 | nM | IC50 | Medchemcomm (2018) 9: 471-476 [PMID:30108937] |
ChEMBL | Inhibition of IDH1 R132H mutant expressed in human U87 cells assessed as inhibition of 2-hydroxyglutarate production after 48 hrs by LC/MS analysis | B | 7.15 | pIC50 | 70 | nM | IC50 | ACS Med Chem Lett (2012) 3: 850-855 [PMID:24900389] |
ChEMBL | Inhibition of IDH1 R132H mutant (unknown origin) | B | 7.15 | pIC50 | 70 | nM | IC50 | Bioorg Med Chem (2017) 25: 6379-6387 [PMID:29089260] |
ChEMBL | Inhibition of IDH1 R132H mutant using alpha-ketoglutarate as substrate after 60 mins by resazurin-based fluorimetric analysis | B | 7.15 | pIC50 | 70 | nM | IC50 | ACS Med Chem Lett (2012) 3: 850-855 [PMID:24900389] |
ChEMBL | Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate addition | B | 7.7 | pIC50 | 20 | nM | IC50 | Bioorg Med Chem (2019) 27: 589-603 [PMID:30600148] |
ChEMBL | Inhibition of IDH1-R132H mutant (unknown origin) expressed in human HA1EM cells assessed as suppression of R-2HG secretion measured after 72 hrs by LC-MS/MS analysis | B | 7.22 | pEC50 | 60 | nM | EC50 | ACS Med Chem Lett (2016) 7: 944-949 [PMID:27774134] |
isocitrate dehydrogenase (NADP(+)) 2/Isocitrate dehydrogenase [NADP], mitochondrial in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3991501] [GtoPdb: 2885] [UniProtKB: P48735] | ||||||||
ChEMBL | Inhibition of wild type IDH2 (unknown origin) | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127070-127070 [PMID:32143887] |
ChEMBL | Inhibition of IDH2 R140Q mutant (unknown origin) | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127070-127070 [PMID:32143887] |
ChEMBL | Inhibition of IDH2 R172K mutant (unknown origin) | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127070-127070 [PMID:32143887] |
ChEMBL | Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2019) 27: 589-603 [PMID:30600148] |
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]