BDBM72215 1-(3-Nitro-phenyl)-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone::1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone::1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone::MLS000585118::SMR000203881::cid_2877351

SMILES C[C@@H](NC(=O)c1cc(N2CCOCC2)c(F)cc1NCCN(C)C)c1cccc(C(F)F)c1F

InChI Key InChIKey=NEODFQWDNHLXRI-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 = 72215   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72215BDBM72215(US20250368634, Example 48)
Affinity DataIC50: 63.8nMAssay 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