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 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 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 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 | 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] |
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
