duvelisib [Ligand Id: 7795] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3039502 (Duvelisib, INK-1147, INK-1197, IPI-145) |
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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/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4005] [GtoPdb: 2153] [UniProtKB: P42336] | ||||||||
| ChEMBL | Inhibition of PI3Kalpha (unknown origin) | B | 5.8 | pIC50 | 1602 | nM | IC50 | Eur J Med Chem (2019) 163: 413-427 [PMID:30530193] |
| ChEMBL | Inhibition of PI3K alpha (unknown origin) using diC8 PIP2 as substrate assessed as decrease in [alpha-32P]ADP formation incubated for 2 hrs by TLC analysis | B | 5.8 | pIC50 | 1602 | nM | IC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| ChEMBL | Inhibition of PI3K alpha (unknown origin) measured after 2 hr in presence of alpha-32P-ATP by TLC analysis | B | 5.8 | pIC50 | 1602 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| GtoPdb | - | - | 5.8 | pIC50 | 1602 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
| ChEMBL | Inhibition of PI3K alpha in human SK-OV-3 cells incubated for 2 hrs by Western blot analysis | B | 6 | pIC50 | >1000 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| ChEMBL | Inhibition of PI3Kalpha in human SK-OV-3 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis | B | 6.15 | pEC50 | 711 | nM | EC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3145] [GtoPdb: 2154] [UniProtKB: P42338] | ||||||||
| ChEMBL | Inhibition of PI3K beta in human 786-0 cells incubated for 2 hrs by Western blot analysis | B | 6.52 | pIC50 | 301 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| GtoPdb | - | - | 7.07 | pIC50 | 85 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
| ChEMBL | Inhibition of PI3Kbeta (unknown origin) | B | 7.07 | pIC50 | 85 | nM | IC50 | Eur J Med Chem (2019) 163: 413-427 [PMID:30530193] |
| ChEMBL | Inhibition of PI3K beta (unknown origin) measured after 2 hr in presence of alpha-32P-ATP by TLC analysis | B | 7.07 | pIC50 | 85 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| ChEMBL | Inhibition of PI3Kbeta in human 786-0 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis | B | 7.68 | pEC50 | 21 | nM | EC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329] | ||||||||
| ChEMBL | Inhibition of N-terminal His-tagged recombinant full-length human PI3Kdelta expressed in baculovirus infected Sf21 insect cells by ADP-Glo assay | B | 5.6 | pIC50 | 2500 | nM | IC50 | J Med Chem (2024) 67: 10530-10547 [PMID:38988222] |
| ChEMBL | Inhibition of PI3Kdelta in human whole blood assessed as reduction in fMLP-stimulated CD63 expression in basophils preincubated for 30 mins followed by fMLP stimulation | B | 5.66 | pIC50 | 2206 | nM | IC50 | J Med Chem (2019) 62: 4936-4948 [PMID:31033293] |
| ChEMBL | Inhibition of PI3Kdelta (unknown origin) | B | 7.57 | pIC50 | 27 | nM | IC50 | Eur J Med Chem (2019) 163: 413-427 [PMID:30530193] |
| ChEMBL | Inhibition of PI3K delta in human Raji cells incubated for 2 hrs by Western blot analysis | B | 7.85 | pIC50 | 14 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| ChEMBL | Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression on B-cells preincubated for 60 mins followed by anti-IgM stimulation and measured after overnight incubation by flow cytometry | B | 7.85 | pIC50 | 14 | nM | IC50 | J Med Chem (2019) 62: 4936-4948 [PMID:31033293] |
| GtoPdb | - | - | 8.6 | pIC50 | 2.5 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
| ChEMBL | Inhibition of PI3K delta (unknown origin) measured after 2 hr in presence of alpha-32P-ATP by TLC analysis | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| ChEMBL | Inhibition of PI3Kdelta in human Raji cells | B | 8.6 | pIC50 | 2.5 | nM | IC50 | J Med Chem (2019) 62: 4783-4814 [PMID:30582813] |
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant full length human PI3Kdelta expressed in baculovirus infected Sf21 insect cells incubated for 30 mins by HTRF assay | B | 8.6 | pIC50 | 2.5 | nM | IC50 | J Med Chem (2022) 65: 9893-9917 [PMID:35831917] |
| ChEMBL | Inhibition of p110delta (unknown origin) | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Eur J Med Chem (2021) 214: 113218-113218 [PMID:33540357] |
| ChEMBL | Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate assessed as decrease in [alpha-32P]ADP formation incubated for 2 hrs by TLC analysis | B | 8.6 | pIC50 | 2.5 | nM | IC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| ChEMBL | Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in antihuman IgM-stimulated AKT phosphorylation at Ser473 residue preincubated for 60 mins followed by antihuman IgM stimulation and measured after 15 mins | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2019) 62: 4936-4948 [PMID:31033293] |
| ChEMBL | Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay | B | 9.3 | pIC50 | <0.5 | nM | IC50 | ACS Med Chem Lett (2016) 7: 908-912 [PMID:27774127] |
| ChEMBL | Inhibition of P13Kdelta (unknown origin) | B | 9.62 | pIC50 | 0.24 | nM | IC50 | Eur J Med Chem (2023) 246: 114971-114971 [PMID:36462440] |
| ChEMBL | Inhibition of PI3Kdelta in human Raji cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis | B | 8.3 | pEC50 | 5 | nM | EC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3267] [GtoPdb: 2156] [UniProtKB: P48736] | ||||||||
| ChEMBL | Inhibition of recombinant human C-terminal His6-tagged p110gamma expressed in insect cells using phosphatidylinositol as substrate in presence of gamma-32P-ATP after 5 mins by thin layer chromatographic method | B | 7 | pIC50 | <100 | nM | IC50 | US-8193182-B2. Substituted isoquinolin-1(2H)-ones, and methods of use thereof (2012) |
| ChEMBL | Inhibition of P13Kgamma (unknown origin) | B | 7.3 | pIC50 | 50 | nM | IC50 | Eur J Med Chem (2023) 246: 114971-114971 [PMID:36462440] |
| ChEMBL | Inhibition of p110gamma (unknown origin) | B | 7.56 | pIC50 | 27.4 | nM | IC50 | Eur J Med Chem (2021) 214: 113218-113218 [PMID:33540357] |
| ChEMBL | Inhibition of PI3Kgamma in human Raji cells | B | 7.57 | pIC50 | 27 | nM | IC50 | J Med Chem (2019) 62: 4783-4814 [PMID:30582813] |
| ChEMBL | Inhibition of human recombinant PI3Kgamma in the presence of ATP by scintillation proximity radiometric assay | B | 7.57 | pIC50 | 27 | nM | IC50 | J Med Chem (2024) 67: 10530-10547 [PMID:38988222] |
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant full length human PI3Kgamma expressed in baculovirus infected Sf21 insect cells incubated for 30 mins by HTRF assay | B | 7.57 | pIC50 | 27 | nM | IC50 | J Med Chem (2022) 65: 9893-9917 [PMID:35831917] |
| ChEMBL | Inhibition of PI3K gamma (unknown origin) measured after 4 hr in presence of alpha-32P-ATP by TLC analysis | B | 7.57 | pIC50 | 27 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| ChEMBL | Inhibition of PI3Kgamma(unknown origin) using diC8 PIP2 as substrate assessed as decrease in [alpha-32P]ADP formation incubated for 4 hrs by TLC analysis | B | 7.57 | pIC50 | 27 | nM | IC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| GtoPdb | - | - | 7.57 | pIC50 | 27 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
| ChEMBL | Inhibition of PI3Kgamma in human whole blood assessed as reduction in anti-IgE-stimulated CD63 expression in basophils preincubated for 30 mins followed by anti-IgE stimulation | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2019) 62: 4936-4948 [PMID:31033293] |
| ChEMBL | Inhibition of PI3KCgamma (unknown origin) | B | 7.92 | pIC50 | 12 | nM | IC50 | Eur J Med Chem (2018) 158: 405-413 [PMID:30237123] |
| ChEMBL | Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay | B | 8.54 | pIC50 | 2.9 | nM | IC50 | ACS Med Chem Lett (2016) 7: 908-912 [PMID:27774127] |
| ChEMBL | Inhibition of PI3Kgamma (unknown origin) | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Eur J Med Chem (2019) 163: 413-427 [PMID:30530193] |
| ChEMBL | Inhibition of recombinant human full-length His-tagged PI3K p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 80 mins by transcreener fluorescence polarization assay | B | 8.7 | pIC50 | 2 | nM | IC50 | J Med Chem (2019) 62: 4936-4948 [PMID:31033293] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189158] [GtoPdb: 2156] [UniProtKB: Q9JHG7] | ||||||||
| ChEMBL | Inhibition of PI3K gamma in mouse RAW264.7 cells incubated for 2 hrs by Western blot analysis | B | 7.29 | pIC50 | 51 | nM | IC50 | Eur J Med Chem (2023) 260: 115768-115768 [PMID:37683362] |
| ChEMBL | Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis | B | 7.14 | pEC50 | 72 | nM | EC50 | J Med Chem (2024) 67: 15199-15219 [PMID:39163191] |
| phosphoinositide-3-kinase regulatory subunit 1/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/PI3-kinase p110-alpha/p85-alpha in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111367] [GtoPdb: 2503, 2153] [UniProtKB: P27986, P42336] | ||||||||
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 cells using phosphatidylinositol as substrate in presence of gamma-32P-ATP after 5 mins by thin layer chromatographic method | B | 5 | pIC50 | <10000 | nM | IC50 | US-8193182-B2. Substituted isoquinolin-1(2H)-ones, and methods of use thereof (2012) |
| GtoPdb | - | - | 5.8 | pIC50 | 1602 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/phosphoinositide-3-kinase regulatory subunit 1/PI3-kinase p110-delta/p85-alpha in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111432] [GtoPdb: 2155, 2503] [UniProtKB: O00329, P27986] | ||||||||
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length p85alpha expressed in baculovirus infected Sf21 cells using phosphatidylinositol as substrate in presence of gamma-32P-ATP after 5 mins by thin layer chromatographic method | B | 7 | pIC50 | <100 | nM | IC50 | US-8193182-B2. Substituted isoquinolin-1(2H)-ones, and methods of use thereof (2012) |
| GtoPdb | - | - | 8.6 | pIC50 | 2.5 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
| ChEMBL | Inhibition of PI3KCdelta/PIK3R1 (unknown origin) | B | 8.64 | pIC50 | 2.3 | nM | IC50 | Eur J Med Chem (2018) 158: 405-413 [PMID:30237123] |
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate measured after 80 mins by transcreener fluorescence polarization assay | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2019) 62: 4936-4948 [PMID:31033293] |
| phosphoinositide-3-kinase regulatory subunit 1/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/PI3K p110 beta/p85 alpha in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038510] [GtoPdb: 2503, 2154] [UniProtKB: P27986, P42338] | ||||||||
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant full-length human p110beta/untagged recombinant full length p85alpha expressed in baculovirus infected Sf21 cells using phosphatidylinositol as substrate in presence of gamma-32P-ATP after 5 mins by thin layer chromatographic method | B | 6 | pIC50 | <1000 | nM | IC50 | US-8193182-B2. Substituted isoquinolin-1(2H)-ones, and methods of use thereof (2012) |
| GtoPdb | - | - | 7.07 | pIC50 | 85 | nM | IC50 | Chem Biol (2013) 20: 1364-74 [PMID:24211136] |
ChEMBL data shown on this page come from version 36:
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]
