BDBM743474 (3S)-1-[(2R)-2-chloro-2-fluoro-acetyl]-N-[(1S)-1-[[(7S,13S)-(20M)-20-[2-[(1S)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)-3-pyridyl]-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22::US20250163072, Example 21

SMILES CO[C@@H](C)c1ncc(N2CCN(C)CC2)cc1-c1c2c3cc(ccc3n1CC(F)(F)F)-c1csc(n1)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C(=O)[C@H](F)Cl)C1)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2

InChI Key InChIKey=XHRQKNXOFWDWOB-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 = 743474   

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

US Patent
LigandPNGBDBM743474((3S)-1-[(2R)-2-chloro-2-fluoro-acetyl]-N-[(1S)-1-[...)
Affinity DataIC50: 21nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/21/2025
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM743474((3S)-1-[(2R)-2-chloro-2-fluoro-acetyl]-N-[(1S)-1-[...)
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/21/2025
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM743474((3S)-1-[(2R)-2-chloro-2-fluoro-acetyl]-N-[(1S)-1-[...)
Affinity DataIC50: 1.00E+4nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
9/21/2025
Entry Details
Go to US Patent