AZD3458 [Ligand Id: 9997] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4126156 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| P2Y1 receptor/P2Y purinoceptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4315] [GtoPdb: 323] [UniProtKB: P47900] | ||||||||
| ChEMBL | Binding affinity to human P2Y1 receptor | B | 6 | pKi | <1000 | nM | Ki | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 gamma/Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163120] [GtoPdb: 2288] [UniProtKB: O75747] | ||||||||
| ChEMBL | Inhibition of PI3KC2gamma (unknown origin) | B | 5.5 | pIC50 | 3162.28 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| 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 PI3KC3 (unknown origin) | B | 5.1 | pIC50 | 7943.28 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| 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 PI3Kdelta in human JeKo1B cells assessed as reduction in AKT phosphorylation at ser473 residue preincubated for 60 mins followed by anti-IgM stimulation measured after 10 mins by TR-FRET assay | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| ChEMBL | Inhibition of PI3Kdelta in anti-IgM-stimulated human JeKo-1 cells assessed as inhibition of AKT phosphorylation at Ser473 residue incubated for 60 mins by TR-FRET assay | B | 6.1 | pIC50 | >794.33 | nM | IC50 | J Med Chem (2021) 64: 8053-8075 [PMID:34080862] |
| ChEMBL | Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by substrate addition measured after 60 mins by ADP-glo assay | B | 6.5 | pIC50 | 316.23 | nM | IC50 | J Med Chem (2021) 64: 8053-8075 [PMID:34080862] |
| GtoPdb | In a biochemical enzyme activity assay. | - | 6.5 | pIC50 | 316 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| 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 P13Kgamma (unknown origin) | B | 8.1 | pIC50 | 7.9 | nM | IC50 | Eur J Med Chem (2023) 246: 114971-114971 [PMID:36462440] |
| GtoPdb | In a biochemical enzyme activity assay. | - | 9.1 | pIC50 | 0.79 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| ChEMBL | Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay | B | 9.1 | pIC50 | <=0.79 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| ChEMBL | Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by substrate addition measured after 60 mins by ADP-glo assay | B | 9.1 | pIC50 | 0.79 | nM | IC50 | J Med Chem (2021) 64: 8053-8075 [PMID:34080862] |
| ChEMBL | Enzymatic Activity Assay for Rec Human PI3Kgamma: The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a commercially available ADP-Glo™ kit from Promega. The assay was carried out in white low volume 384 well plates in a final volume of 14 μl at rt. The assay conditions contained the following: 50 mM Tris buffer pH 7.4, 2.1 mM DTT, 3 mM MgCl2, 0.05% CHAPS, 20 μM ATP, 80 μM DiC8-PIP2 and 1.2 nM PI3Kγ. Potential inhibitors were made up in DMSO and then diluted in the assay to give a final concentration of not exceeding 1% (v/v) DMSO. A 10-point half-log dilution series of the inhibitors (highest concentration typically 0.1 μM) was tested and the pIC50 determined using a 4-parameter logistic equation in a non-linear curve fitting routine. Routinely, inhibitors were pre-incubated with 3 μl of PI3Kγ for 15 min prior to the addition of 2 l substrate mixture for a further 60 min enzyme reaction. The phosphorylation was stopped with the addition of 3 μl ADP-Glo™ reagent (stop solution) followed by a 40 min incubation. Prior to detection 6 μl of ADP-Glo Kinase Detection Reagent was added and the plates were read in a micro plate reader using a Luminescence filter. | B | 9.1 | pIC50 | 0.79 | nM | IC50 | US-10858355-B2. Inhibitors of phosphatidylinositol 3-kinase gamma (2020) |
| ChEMBL | Enzymatic Activity Assay for Rec Human PI3Kgamma: The activity of recombinant human PI3Kγ (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a commercially available ADP-Glo™ kit from Promega. The assay was carried out in white low volume 384 well plates in a final volume of 14 μl at rt. The assay conditions contained the following: 50 mM Tris buffer pH 7.4, 2.1 mM DTT, 3 mM MgCl2, 0.05% CHAPS, 20 μM ATP, 80 μM DiC8-PIP2 and 1.2 nM PI3Kγ. Potential inhibitors were made up in DMSO and then diluted in the assay to give a final concentration of not exceeding 1% (v/v) DMSO. A 10-point half-log dilution series of the inhibitors (highest concentration typically 0.1 μM) was tested and the pIC50 determined using a 4-parameter logistic equation in a non-linear curve fitting routine. Routinely, inhibitors were pre-incubated with 3 μl of PI3Kγ for 15 min prior to the addition of 2 l substrate mixture for a further 60 min enzyme reaction. The phosphorylation was stopped with the addition of 3 μl ADP-Glo™ reagent (stop solution) followed by a 40 min incubation. Prior to detection 6 μl of ADP-Glo Kinase Detection Reagent was added and the plates were read in a micro plate reader using a Luminescence filter. | B | 9.2 | pIC50 | 0.63 | nM | IC50 | US-10858355-B2. Inhibitors of phosphatidylinositol 3-kinase gamma (2020) |
| 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 PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a stimulation measured after 3 mins by TR-FRET assay | B | 8.1 | pIC50 | 7.94 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| ChEMBL | Inhibition of PI3Kgamma in C5a-stimulated mouse RAW 264 cells assessed as inhibition of AKT phosphorylation at Ser473 residue Pretreated for 15 mins followed by C5a stimulation measured after 3 mins by HTRF assay | B | 8.1 | pIC50 | 7.94 | nM | IC50 | J Med Chem (2021) 64: 8053-8075 [PMID:34080862] |
| phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 alpha/Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075102] [GtoPdb: 2150] [UniProtKB: O00443] | ||||||||
| ChEMBL | Inhibition of PI3KC2alpha (unknown origin) | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 beta/Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5554] [GtoPdb: 2151] [UniProtKB: O00750] | ||||||||
| ChEMBL | Inhibition of PI3KC2beta (unknown origin) | B | 7.5 | pIC50 | 31.62 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| 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 recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay | B | 6.5 | pIC50 | 316.23 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| GtoPdb | In a biochemical enzyme activity assay. | - | 6.5 | pIC50 | 316 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG | B | 4.5 | pIC50 | 31622.78 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha in Human [GtoPdb: 2153] [UniProtKB: P42336] | ||||||||
| GtoPdb | In a biochemical enzyme activity assay. | - | 5.1 | pIC50 | 7943 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
| phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta in Human [GtoPdb: 2154] [UniProtKB: P42338] | ||||||||
| GtoPdb | In a biochemical enzyme activity assay. | - | 4.5 | pIC50 | >31600 | nM | IC50 | J Med Chem (2018) 61: 5435-5441 [PMID:29852070] |
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]
