BDBM72216 (2Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]acrylamide::(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]prop-2-enamide::(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-propenamide::(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)-2-oxoethyl]prop-2-enamide::(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-(p-tolyl)ethyl]acrylamide::MLS000586317::SMR000204680::cid_12005356

SMILES C[C@H](CN(C)C)Nc1cc(F)c(N2CCOCC2)cc1C(=O)N[C@H](C)c1cccc(C(F)F)c1F

InChI Key InChIKey=BSEWAUSLBYUWKC-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 = 72216   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72216BDBM72216(N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataIC50: 70.7nMAssay 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