BDBM72196 (E)-3-[3-(mesitylsulfonylamino)phenyl]acrylic acid::(E)-3-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2-propenoic acid::(E)-3-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]prop-2-enoic acid::3-[3-(2,4,6-Trimethyl-benzenesulfonylamino)-phenyl]-acrylic acid::MLS000553765::SMR000171891::cid_681533

SMILES C[C@@H](NC(=O)c1cc(N2CC[C@]3(CCOC3)C2)c(F)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F

InChI Key InChIKey=MKFZMVNUDTUTER-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 = 72196   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72196BDBM72196(N—((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataIC50: 40.4nMAssay 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