BI-3406 [Ligand Id: 12061] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4519023 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| SOS Ras/Rac guanine nucleotide exchange factor 1/Son of sevenless homolog 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2079846] [GtoPdb: 3096] [UniProtKB: Q07889] | ||||||||
| ChEMBL | Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by SPR analysis | B | 8.52 | pKd | 3 | nM | Kd | J Med Chem (2021) 64: 6569-6580 [PMID:33719426] |
| GtoPdb | Binding affinity determined by SPR | - | 8.01 | pKi | 9.7 | nM | Ki | Cancer Discov (2021) 11: 142-157 [PMID:32816843] |
| ChEMBL | Inhibition of SOS1-mediated proliferation of human NCI-H520 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferation assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2021) 64: 6569-6580 [PMID:33719426] |
| ChEMBL | Inhibition of 6His-tagged SOS1 (unknown origin) mediated GST-tagged KRAS G12D activation preincubated for 15 mins followed by KRAS G12D addition and measured after 30 mins by HTRF assay | B | 7.14 | pIC50 | 71.8 | nM | IC50 | ACS Med Chem Lett (2023) 14: 183-190 [PMID:36793426] |
| ChEMBL | Inhibition of SOS1-mediated proliferation of human DLD-1 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferation assay | B | 7.44 | pIC50 | 36 | nM | IC50 | J Med Chem (2021) 64: 6569-6580 [PMID:33719426] |
| ChEMBL | Inhibition of GST-tagged SOS1 (564 to 1049 amino acids) (unknown origin) assessed as reduction SOS1/6xHis-Tev-tagged K-Ras G12D mutant (1 to 169 residues) interaction incubated for 30 mins by AlphaLISA method | B | 8.3 | pIC50 | 5 | nM | IC50 | WO-2018115380-A1. Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors (2018) |
| KRAS/SOS Ras/Rac guanine nucleotide exchange factor 1/SOS1-KRAS in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL5465393] [GtoPdb: 2824, 3096] [UniProtKB: P01116, Q07889] | ||||||||
| GtoPdb | Binding affinity determined by SPR | - | 8.01 | pKi | 9.7 | nM | Ki | Cancer Discov (2021) 11: 142-157 [PMID:32816843] |
| ChEMBL | Inhibition of SOS1/KRAS G13D mutant protein-protein interaction in human DLD-1 cells assessed as ERK1/2 phosphorylation measured after 70 mins by AlphaScreen assay | B | 7.62 | pIC50 | 24 | nM | IC50 | J Med Chem (2021) 64: 6569-6580 [PMID:33719426] |
| ChEMBL | Inhibition of SOS1/KRAS G12C mutant (unknown origin) protein-protein interaction | B | 8.3 | pIC50 | 5 | nM | IC50 | RSC Med Chem (2024) 15: 1392-1403 [PMID:38665844] |
| ChEMBL | Inhibition of SOS1/KRAS G12D mutant (unknown origin) protein-protein interaction using GDP nucleotide as substrate measured after 30 mins by Alphascreen assay | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2021) 64: 6569-6580 [PMID:33719426] |
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]
