AGI-5198 [Ligand Id: 9240] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL2180727
There should be some charts here, you may need to enable JavaScript!
  • isocitrate dehydrogenase (NADP(+)) 1/Isocitrate dehydrogenase [NADP] cytoplasmic in Human [ChEMBL: CHEMBL2007625] [GtoPdb: 2884] [UniProtKB: O75874]
There should be some charts here, you may need to enable JavaScript!
  • isocitrate dehydrogenase (NADP(+)) 2/Isocitrate dehydrogenase [NADP], mitochondrial in Human [ChEMBL: CHEMBL3991501] [GtoPdb: 2885] [UniProtKB: P48735]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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]