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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 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]