PF-04691502 [Ligand Id: 7936] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1234354 (PF-04691502, PF-4691502)
  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Mouse [ChEMBL: CHEMBL2499] [GtoPdb: 2153] [UniProtKB: P42337]
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  • AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749]
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  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
GtoPdb - - 9.24 pKi 0.57 nM Ki ACS Med Chem Lett (2011) 2: 809-13 [PMID:24900269]
ChEMBL Inhibition of PI3Kalpha B 9.24 pKi 0.57 nM Ki ACS Med. Chem. Lett. (2011) 2: 809-813 [PMID:24900269]
ChEMBL Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate compound preincubated for 15 mins by luciferase-based luminescence assay B 8.08 pIC50 8.33 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 790-793 [PMID:24433860]
ChEMBL Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay B 8.08 pIC50 8.33 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 4538-4541 [PMID:25139570]
ChEMBL Biochemical Assay: Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in vitro by determining the level of phosphorylation of the substrate PI(4,5)P2. The formation of product PI(3,4,5)P3 is monitored by binding to the Grip1 PH domain in a ligand displacement fluorescence polarization (FP) assay, in which the TAMRA-labeled PI(3,4,5)P3 complexed with Grip1 PH domain is displaced by PI(3,4,5)P3 formed in the PI3-Kα reaction resulting in a decrease in FP signal. B 8.31 pIC50 4.85 nM IC50 US-8633204-B2. 4-methylpyridopyrimidinone compounds (2014)
ChEMBL Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate by Kinase-Glo assay B 8.48 pIC50 3.3 nM IC50 J Med Chem (2018) 61: 6087-6109 [PMID:29927604]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2499] [GtoPdb: 2153] [UniProtKB: P42337]
ChEMBL Inhibition of mouse PI3Kalpha B 9.24 pKi 0.57 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 2787-2792 [PMID:23506825]
ChEMBL Inhibition of mouse PI3K alpha expressed in insect cells coexpressing p85 subunit assessed as PI(3,4,5)P3 formation using PI(4,5)P2 as substrate by measuring displacement of TAMRA-labeled PI(3,4,5)P3 from Grip1 PH domain after 35 mins by ligand displacement fluorescence polarization assay B 9.24 pKi 0.57 nM Ki MedChemComm (2010) 1: 139-144
AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749]
ChEMBL Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells B 7.89 pIC50 13 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 2787-2792 [PMID:23506825]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
ChEMBL Inhibition of mTOR B 7.8 pKi 16 nM Ki ACS Med. Chem. Lett. (2011) 2: 809-813 [PMID:24900269]
ChEMBL Inhibition of mTOR (unknown origin) B 7.8 pKi 16 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 2787-2792 [PMID:23506825]
ChEMBL Inhibition of recombinant mTOR (unknown origin) assessed as GFP-4E-BP1 substrate phosphorylation after 20 mins by TR-FRET assay B 7.8 pKi 16 nM Ki MedChemComm (2010) 1: 139-144
GtoPdb - - 7.8 pKi 16 nM Ki ACS Med Chem Lett (2011) 2: 809-13 [PMID:24900269]
ChEMBL Inhibition of mTOR (unknown origin) after 40 mins by TR-FRET assay B 8.1 pIC50 7.9 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 790-793 [PMID:24433860]
ChEMBL Inhibition of mTOR (unknown origin) assessed as inhibition of 4EBP-1 phosphorylation preincubated for 15 mins before substrate addition by TR-FRET assay B 8.1 pIC50 7.9 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 4538-4541 [PMID:25139570]

ChEMBL data shown on this page come from version 26:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]