ML162 [Ligand Id: 12800] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1499544
  • phosphatidylinositol 3-kinase catalytic subunit type 3/Phosphatidylinositol 3-kinase catalytic subunit type 3 in Human [ChEMBL: CHEMBL1075165] [GtoPdb: 2152] [UniProtKB: Q8NEB9]
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  • glutathione peroxidase 4/Phospholipid hydroperoxide glutathione peroxidase in Human [ChEMBL: CHEMBL4295754] [GtoPdb: 3239] [UniProtKB: P36969]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
phosphatidylinositol 3-kinase catalytic subunit type 3/Phosphatidylinositol 3-kinase catalytic subunit type 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075165] [GtoPdb: 2152] [UniProtKB: Q8NEB9]
ChEMBL Inhibition of Vps34 (unknown origin) B 7.6 pIC50 25 nM IC50 J Med Chem (2020) 63: 10135-10157 [PMID:32324396]
ChEMBL Inhibition of Vps34 (unknown origin) interaction with PIK3 assessed as reduction in autophagy by increasing LC3 level B 7.74 pIC50 18 nM IC50 J Med Chem (2020) 63: 10135-10157 [PMID:32324396]
glutathione peroxidase 4/Phospholipid hydroperoxide glutathione peroxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295754] [GtoPdb: 3239] [UniProtKB: P36969]
ChEMBL Covalent inhibition of GPX4 (unknown origin) assessed as inhibition constant incubated for 30 to 90 mins in presence of glutathione, glutathione reductase and NADPH by microplate reader analysis B 4.54 pKi 28860 nM Ki J Med Chem (2023) 66: 10036-10059 [PMID:37452764]
GtoPdb - - 5.31 pIC50 4850 nM IC50 J Med Chem (2023) 66: 10036-10059 [PMID:37452764]
ChEMBL Inhibition of GPX4 (unknown origin) incubated for 1 hrs in presence of glutathione and glutathione reductase by microplate reader analysis B 5.31 pIC50 4850 nM IC50 J Med Chem (2023) 66: 10036-10059 [PMID:37452764]
ChEMBL Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability in presence of ferrostatin-1 B 5.66 pEC50 2200 nM EC50 Bioorg Med Chem Lett (2020) 30: 127538-127538 [PMID:32920142]
ChEMBL Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability B 7.55 pEC50 28 nM EC50 Bioorg Med Chem Lett (2020) 30: 127538-127538 [PMID:32920142]
TEA domain transcription factor 4/YAP1-TEAD4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL5465250] [GtoPdb: 3243] [UniProtKB: P46937Q15561]
ChEMBL Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 24 hrs at 4 degree C with TEAD4 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay B 5.96 pIC50 1100 nM IC50 RSC Med Chem (2023) 14: 1803-1816 [PMID:37731696]

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]