BDBM631502 US20230348424, Example 85::US20230348424, Example 86

SMILES C[C@@H](NC(=O)c1cn(c(=O)cc1NC[C@@H]1CC2CCN1CC2)C1(CC1)C(F)F)c1cccc(C(F)F)c1F

InChI Key InChIKey=XMRABAGHAFYEHF-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 631502   

LigandPNGBDBM631502(US20230348424, Example 85 | US20230348424, Example...)
Affinity DataIC50: 26.1nMAssay Description:Inhibition of the SOS 1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

LigandPNGBDBM631502(US20230348424, Example 85 | US20230348424, Example...)
Affinity DataIC50: 73.1nMAssay Description:Inhibition of the SOS 1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
Go to US Patent

TargetSon of sevenless homolog 1 [564-1049]()
SchröDinger

US Patent
LigandPNGBDBM631502(US20230348424, Example 85 | US20230348424, Example...)
Affinity DataKd:  12nMAssay 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:
12/20/2023
Entry Details
Go to US Patent

TargetSon of sevenless homolog 1 [564-1049]()
SchröDinger

US Patent
LigandPNGBDBM631502(US20230348424, Example 85 | US20230348424, Example...)
Affinity DataKd:  29nMAssay 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:
12/20/2023
Entry Details
Go to US Patent