BDBM743471 (3S)-N-[(1S)-1-[[(8S,14S)-22-ethyl-4-hydroxy-(21M)-21-[2-[(1S)-1-methoxyethyl]-3-pyridyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23::US20250163072, Example 9

SMILES CCn1c(-c2cccnc2[C@H](C)OC)c2c3cc(ccc31)-c1cc(O)cc(c1)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C(=O)/C=C/n3cncn3)C1)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2

InChI Key

  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 = 743471   

TargetGTPase KRas [G12C](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM743471((3S)-N-[(1S)-1-[[(8S,14S)-22-ethyl-4-hydroxy-(21M)...)
Affinity DataIC50: 38nMAssay Description:In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/21/2025
Entry Details
US Patent

TargetGTPase KRas [G12V](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM743471((3S)-N-[(1S)-1-[[(8S,14S)-22-ethyl-4-hydroxy-(21M)...)
Affinity DataIC50: 103nMAssay Description:In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/21/2025
Entry Details
US Patent

TargetGTPase KRas [G12D](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM743471((3S)-N-[(1S)-1-[[(8S,14S)-22-ethyl-4-hydroxy-(21M)...)
Affinity DataIC50: 1.93E+3nMAssay Description:In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/21/2025
Entry Details
US Patent