compound 82 [PMID: 21332118] [Ligand Id: 8805] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1615189
  • protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527]
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  • 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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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha subunit in Human [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/PI3-kinase p110-beta subunit in Human [ChEMBL: CHEMBL3145] [GtoPdb: 2154] [UniProtKB: P42338]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/PI3-kinase p110-gamma subunit in Human [ChEMBL: CHEMBL3267] [GtoPdb: 2156] [UniProtKB: P48736]
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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
protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527]
GtoPdb - - 8.52 pKi 3 nM Ki J Med Chem (2011) 54: 1789-811 [PMID:21332118]
ChEMBL Inhibition of DNA-PK after 30 mins by TR-FRET assay B 8.52 pIC50 3 nM IC50 J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
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 human VPS34 after 30 mins by fluorescence-based immunoassay B 7.51 pKi 31 nM Ki J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
GtoPdb - - 7.51 pKi 31 nM Ki J Med Chem (2011) 54: 1789-811 [PMID:21332118]
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 - - 8.92 pKi 1.2 nM Ki J Med Chem (2011) 54: 1789-811 [PMID:21332118]
ChEMBL Inhibition of human PI3Kalpha expressed in Sf9 cells B 8.92 pKi 1.2 nM Ki J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
ChEMBL Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP B 8.92 pKi 1.2 nM Ki J. Med. Chem. (2011) 54: 5174-5184 [PMID:21714526]
ChEMBL Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisphosphate as substrate after 1.5 hrs by spectrophotometric analysis B 8.92 pKi 1.2 nM Ki J. Med. Chem. (2011) 54: 4735-4751 [PMID:21612232]
ChEMBL Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells B 8.2 pIC50 6.3 nM IC50 J. Med. Chem. (2011) 54: 4735-4751 [PMID:21612232]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/PI3-kinase p110-beta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3145] [GtoPdb: 2154] [UniProtKB: P42338]
ChEMBL Inhibition of human PI3Kbeta expressed in Sf9 cells B 8.7 pKi 2 nM Ki J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
GtoPdb - - 8.7 pKi 2 nM Ki J Med Chem (2011) 54: 1789-811 [PMID:21332118]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329]
GtoPdb - - 8.92 pKi 1.2 nM Ki J Med Chem (2011) 54: 1789-811 [PMID:21332118]
ChEMBL Inhibition of human PI3Kdelta expressed in Sf9 cells B 8.92 pKi 1.2 nM Ki J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/PI3-kinase p110-gamma subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3267] [GtoPdb: 2156] [UniProtKB: P48736]
ChEMBL Inhibition of human PI3Kgamma expressed in Sf9 cells B 8.33 pKi 4.7 nM Ki J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
GtoPdb - - 8.33 pIC50 4.7 nM IC50 J Med Chem (2011) 54: 1789-811 [PMID:21332118]
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 S473 in human U-87MG cells at 5 mM after 2 hrs B 8.2 pIC50 6.3 nM IC50 J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
ChEMBL Inhibition of PI3K-mediated Akt phosphorylation at Ser 473 in human U87MG cells after 2 hrs by alphascreen assay B 8.2 pIC50 6.3 nM IC50 J. Med. Chem. (2011) 54: 5174-5184 [PMID:21714526]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
GtoPdb - - 8.7 pKi 2 nM Ki J Med Chem (2011) 54: 1789-811 [PMID:21332118]
ChEMBL Inhibition of mTOR assessed as inhibition of 4EBP1 phosphorylation by TR-FRET assay B 8.7 pIC50 2 nM IC50 J. Med. Chem. (2011) 54: 1789-1811 [PMID:21332118]
ChEMBL Inhibition of recombinant N-terminal GST-tagged mTOR-mediated 4E-BP1 phosphorylation after 60 mins by TR-FRET assay B 8.7 pIC50 2 nM IC50 J. Med. Chem. (2011) 54: 5174-5184 [PMID:21714526]
SMO/Smoothened homolog in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6080] [GtoPdb: 239] [UniProtKB: P56726]
ChEMBL Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay B 6.92 pIC50 120 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 3665-3670 [PMID:26119500]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]