roginolisib [Ligand Id: 12487] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3683575 (Ioa 244, IOA-244, IOA244, Msc-2360844, MSC2360844, Roginolisib) |
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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 delta/phosphoinositide-3-kinase regulatory subunit 2/phosphoinositide-3-kinase regulatory subunit 1/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta/phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma/phosphoinositide-3-kinase regulatory subunit 5/phosphoinositide-3-kinase regulatory subunit 3/PI3-kinase class I in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL3559703] [GtoPdb: 2155, 2504, 2503, 2153, 2154, 2156, 2506, 2505] [UniProtKB: O00329, O00459, P27986, P42336, P42338, P48736, Q8WYR1, Q92569] | ||||||||
| ChEMBL | Binding Assay: The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind phospholipids with high affinity and specificity. The Scintillation Proximity Assay is based on the properties of weakly emitting isotopes (such as 3H, 125I, 33P). Coating SPA beads with neomycin allows the detection of phosphorylated lipid substrates after incubation with recombinant PI3K and radioactive ATP in the same well, by capturing the radioactive phospholipids to the SPA beads through their specific binding to neomycin. To a 384 wells MTP containing 5 ul of the test compound of Formula (I) (solubilized in 2% DMSO; to yield a final concentration of 20, 5, 1.25, 0.3125, 0.0781, 0.0195, 0.0049, 0.0012, 0.0003 and 0.00075 uM of the test compound). | B | 6.46 | pIC50 | 347 | nM | IC50 | US-9073940-B2. Tricyclic pyrazol amine derivatives (2015) |
| GtoPdb | Inhibitory efficacy determined by Scintillation Proximity Assay detecting phosphorylated lipid substrates after incubation with recombinant PI3Kδ and radioactive ATP. | - | 6.46 | pIC50 | 347 | nM | IC50 | US9073940B2. Tricyclic pyrazol amine derivatives (2015) |
| 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] | ||||||||
| ChEMBL | Inhibition of PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay | B | 4.74 | pIC50 | 18000 | nM | IC50 | J Med Chem (2022) 65: 16033-16061 [PMID:36503229] |
| 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 PI3Kbeta (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Med Chem (2022) 65: 16033-16061 [PMID:36503229] |
| 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 | Inhibitory efficacy determined by Scintillation Proximity Assay detecting phosphorylated lipid substrates after incubation with recombinant PI3Kδ and radioactive ATP. | - | 6.46 | pIC50 | 347 | nM | IC50 | US9073940B2. Tricyclic pyrazol amine derivatives (2015) |
| ChEMBL | Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay | B | 6.85 | pIC50 | 140 | nM | IC50 | J Med Chem (2022) 65: 16033-16061 [PMID:36503229] |
| 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 PI3Kgamma (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2022) 65: 16033-16061 [PMID:36503229] |
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]
