BDBM72227 MLS000588663::N-[1-(1-phenylethyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide::N-[3-(benzenesulfonyl)-1-(1-phenylethyl)-2-pyrrolo[3,2-b]quinoxalinyl]propanamide::N-[3-(benzenesulfonyl)-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide::N-[3-Benzenesulfonyl-1-(1-phenyl-ethyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-propionamide::N-[3-besyl-1-(1-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]propionamide::SMR000212338::cid_4521884

SMILES C[C@@H](NC(=O)c1cc(-c2ccncc2)c(F)cc1N[C@H]1CN2CCC1CC2)c1cccc(C(F)F)c1F

InChI Key InChIKey=FISRFJVSHHXVDN-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72227   

TargetGTPase KRas [1-169,G12C](Human)
SchroDinger

US Patent
LigandChemical structure of BindingDB Monomer ID 72227BDBM72227(N-(R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-...)
Affinity DataIC50: 25.7nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details
US Patent