BI-3406 [Ligand Id: 12061] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4519023
  • SOS Ras/Rac guanine nucleotide exchange factor 1/Son of sevenless homolog 1 in Human [ChEMBL: CHEMBL2079846] [GtoPdb: 3096] [UniProtKB: Q07889]
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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)

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]