BDBM72192 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide::2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-phenyl-2-thiazolyl)acetamide::2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-phenylthiazol-2-yl)acetamide::2-[[5-[[(2,6-dimethylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide::2-{5-[(2,6-Dimethyl-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(4-phenyl-thiazol-2-yl)-acetamide::MLS000561375::SMR000177098::cid_3134097

SMILES C[C@@H](NC(=O)c1cc(N2CCC(F)(F)C2)c(F)cc1N[C@H]1CN2CCC1CC2)c1cccc(C(F)F)c1F

InChI Key InChIKey=IHPOYEAEGJNNHW-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 = 72192   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72192BDBM72192(N—((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataIC50: 22.5nMAssay 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