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 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]