BDBM652848 US20240059703, Example 1-1

SMILES Oc1cc(-c2nc(nc3CCCCc23)N2CCC3(CN(C3)C(=O)C=C)C2)c2ccccc2c1

InChI Key InChIKey=ORVBCNYYHBDBFR-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 652848   

LigandChemical structure of BindingDB Monomer ID 652848BDBM652848(US20240059703, Example 1-1)
Affinity DataIC50: 431nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
US Patent

TargetGTPase KRas(Human)
Amgen Research

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 652848BDBM652848(US20240059703, Example 1-1)
Affinity DataIC50: 690nMAssay Description:Inhibition of recombinant His-tagged GDP-bound human KRAS G12C/C118A mutant (1 to 169 residues) (unknown origin) extracted by Escherichia coli assess...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed