BDBM692058 US20240279221, Example 46

SMILES C[C@@H](Nc1nn(C)c(=O)c2cc(=O)n(cc12)C1CCOCC1)c1cccc2c(F)coc12

InChI Key InChIKey=HJHLVKRXVYUMMU-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 692058   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692058(US20240279221, Example 46)
Affinity DataKd:  21nMAssay Description:Binding to SOS1 was measured using a SPR assay with purified recombinant human SOS1 substrate (res. 564-1049 with N-terminal Avi tag; purified and bi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2024
Entry Details
US Patent

TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
SchröDinger

US Patent
LigandPNGBDBM692058(US20240279221, Example 46)
Affinity DataIC50: 62.4nMAssay Description:Inhibition of the SOS1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl Ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2024
Entry Details
US Patent