BDBM72146 (E)-2-(3-chlorophenyl)-3-(1,2,5-trimethyl-3-pyrrolyl)-2-propenenitrile::(E)-2-(3-chlorophenyl)-3-(1,2,5-trimethylpyrrol-3-yl)acrylonitrile::(E)-2-(3-chlorophenyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile::2-(3-chlorophenyl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)acrylonitrile::MLS000572469::SMR000194427::cid_875215

SMILES C[C@@H](CNC(=O)c1cc(N2CCOCC2)c(F)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F

InChI Key InChIKey=HAEYRZUDYKJQAA-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72146   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72146BDBM72146(US20250368634, Example 5)
Affinity DataIC50: 24.3nMAssay 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