BDBM72178 (E)-2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)-2-propenenitrile::(E)-2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)acrylonitrile::(E)-2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile::(E)-2-Benzooxazol-2-yl-3-(4-chloro-phenyl)-acrylonitrile::MLS000589797::SMR000219622::cid_5900342

SMILES Cc1c([C@@H](C)NC(=O)c2cc(N3CCOCC3)c(Cl)cc2NC2CCN(C)CC2)cccc1C(F)(F)F

InChI Key InChIKey=CXBWMZZGWDVTAU-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 72178   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72178BDBM72178((R)-4-chloro-N-(1-(2-methyl-3-(trifluoromethyl)phe...)
Affinity DataIC50: 67.2nMAssay 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