ipatasertib [Ligand Id: 7887] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2177390 (GDC-0068, Ipatasertib, Rg-7440, RG-7440, RG7440) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Protein kinase G (PKG) 1/cGMP-dependent protein kinase 1 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4273] [GtoPdb: 1492] [UniProtKB: Q13976] | ||||||||
| ChEMBL | Inhibition of PRKG1alpha | B | 7.01 | pIC50 | 98 | nM | IC50 | J Med Chem (2012) 55: 8110-8127 [PMID:22934575] |
| GtoPdb | - | - | 7.16 | pIC50 | 69 | nM | IC50 | J Med Chem (2012) 55: 8110-27 [PMID:22934575] |
| ChEMBL | Inhibition of PRKG1beta | B | 7.16 | pIC50 | 69 | nM | IC50 | J Med Chem (2012) 55: 8110-8127 [PMID:22934575] |
| AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749] | ||||||||
| ChEMBL | Binding affinity to wild-type human partial length AKT1 expressed in bacterial expression system assessed as residual binding level by Kinomescan method | B | 9.19 | pKd | 0.64 | nM | Kd | J Med Chem (2021) 64: 18054-18081 [PMID:34855399] |
| ChEMBL | Inhibition of Akt1 in human LNCAP cells assessed as phosphorylation of PRAS40 at Thr246 after 1.5 hrs | B | 6.8 | pIC50 | 157 | nM | IC50 | J Med Chem (2012) 55: 8110-8127 [PMID:22934575] |
| ChEMBL | Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluorescence labeled substrate after 60 mins by fluorescence polarization assay in presence of ATP | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2012) 55: 8110-8127 [PMID:22934575] |
| ChEMBL | Inhibition of Akt1 (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Eur J Med Chem (2021) 225: 113749-113749 [PMID:34411892] |
| ChEMBL | Inhibition of recombinant AKT1 (104 to 480 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated for 1 hr in presence of ATP by caliper off-chip mobility shift assay | B | 8.42 | pIC50 | 3.8 | nM | IC50 | J Med Chem (2022) 65: 8144-8168 [PMID:35679512] |
| ChEMBL | Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by mobility shift assay | B | 8.89 | pIC50 | 1.3 | nM | IC50 | J Med Chem (2021) 64: 12163-12180 [PMID:34375113] |
| GtoPdb | - | - | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2012) 55: 8110-27 [PMID:22934575] |
| AKT serine/threonine kinase 2/Serine/threonine-protein kinase AKT2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2431] [GtoPdb: 1480] [UniProtKB: P31751] | ||||||||
| ChEMBL | Binding affinity to wild-type human partial length AKT2 expressed in bacterial expression system assessed as residual binding level by Kinomescan method | B | 7.46 | pKd | 35 | nM | Kd | J Med Chem (2021) 64: 18054-18081 [PMID:34855399] |
| ChEMBL | Inhibition of recombinant AKT2 (120 to 481 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated for 1 hr in presence of ATP by caliper off-chip mobility shift assay | B | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2022) 65: 8144-8168 [PMID:35679512] |
| ChEMBL | Inhibition of full length human Akt2 S474D mutant using GRPRTSSFAEGKK as substrate incubated for 40 mins by scintillation counting method | B | 7.49 | pIC50 | 32 | nM | IC50 | Eur J Med Chem (2020) 189: 112076-112076 [PMID:32007668] |
| GtoPdb | - | - | 7.74 | pIC50 | 18 | nM | IC50 | J Med Chem (2012) 55: 8110-27 [PMID:22934575] |
| ChEMBL | Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt2 expressed in recombinant baculovirus system using fluorescence labeled substrate after 60 mins by fluorescence polarization assay in presence of ATP | B | 7.74 | pIC50 | 18 | nM | IC50 | J Med Chem (2012) 55: 8110-8127 [PMID:22934575] |
| ChEMBL | Inhibition of Akt2 (unknown origin) | B | 7.74 | pIC50 | 18 | nM | IC50 | Eur J Med Chem (2021) 225: 113749-113749 [PMID:34411892] |
| ChEMBL | Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by mobility shift assay | B | 8.42 | pIC50 | 3.8 | nM | IC50 | J Med Chem (2021) 64: 12163-12180 [PMID:34375113] |
| AKT serine/threonine kinase 3/Serine/threonine-protein kinase AKT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4816] [GtoPdb: 2286] [UniProtKB: Q9Y243] | ||||||||
| ChEMBL | Binding affinity to wild-type human partial length AKT3 expressed in bacterial expression system assessed as residual binding level by Kinomescan method | B | 8.6 | pKd | 2.5 | nM | Kd | J Med Chem (2021) 64: 18054-18081 [PMID:34855399] |
| ChEMBL | Inhibition of full length human Akt3 S472D mutant using GRPRTSSFAEGKK as substrate incubated for 40 mins by scintillation counting method | B | 7.59 | pIC50 | 26 | nM | IC50 | Eur J Med Chem (2020) 189: 112076-112076 [PMID:32007668] |
| ChEMBL | Inhibition of recombinant N-terminal GST tagged AKT2 (108 to 479 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated for 1 hr in presence of ATP by caliper off-chip mobility shift assay | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (2022) 65: 8144-8168 [PMID:35679512] |
| ChEMBL | Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluorescence labeled Crosstide as substrate after 60 mins by fluorescence polarization assay in presence of ATP | B | 8.1 | pIC50 | 8 | nM | IC50 | J Med Chem (2012) 55: 8110-8127 [PMID:22934575] |
| ChEMBL | Inhibition of Akt3 (unknown origin) | B | 8.1 | pIC50 | 8 | nM | IC50 | Eur J Med Chem (2021) 225: 113749-113749 [PMID:34411892] |
| GtoPdb | - | - | 8.1 | pIC50 | 8 | nM | IC50 | J Med Chem (2012) 55: 8110-27 [PMID:22934575] |
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]
