BDBM698899 US20240317759, Example 108

SMILES COC1CCN(CC2(COc3nc4CN(Cc4c(n3)N3CCC[C@@](C)(O)C3)C(=O)c3cc(O)cc4cccc(I)c34)CC2)CC1

InChI Key InChIKey=DKJKKRABEFIERY-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 698899   

TargetGTPase KRas [G12D]/Son of sevenless homolog 1 [564-1049](Human)
Taiho Pharmaceutical Co.

US Patent
LigandPNGBDBM698899(US20240317759, Example 108)
Affinity DataIC50: 900nMAssay Description:Recombinant KRAS G12C (amino acids 1-169, SEQ ID NO:1), KRAS G12D (amino acids 1-169, SEQ ID NO:2), KRAS G12V (amino acids 1-169, SEQ ID NO:3) and SO...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2025
Entry Details
US Patent

TargetGTPase KRas [G12V]/Son of sevenless homolog 1 [564-1049](Human)
Taiho Pharmaceutical Co.

US Patent
LigandPNGBDBM698899(US20240317759, Example 108)
Affinity DataIC50: 900nMAssay Description:Recombinant KRAS G12C (amino acids 1-169, SEQ ID NO:1), KRAS G12D (amino acids 1-169, SEQ ID NO:2), KRAS G12V (amino acids 1-169, SEQ ID NO:3) and SO...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2025
Entry Details
US Patent

TargetSon of sevenless homolog 1 [564-1049]/GTPase KRas [G12C](Human)
Taiho Pharmaceutical Co.

US Patent
LigandPNGBDBM698899(US20240317759, Example 108)
Affinity DataIC50: 1.30E+3nMAssay Description:Recombinant KRAS G12C (amino acids 1-169, SEQ ID NO:1), KRAS G12D (amino acids 1-169, SEQ ID NO:2), KRAS G12V (amino acids 1-169, SEQ ID NO:3) and SO...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/28/2025
Entry Details
US Patent