BDBM72214 MLS000586158::N-(4-methoxyphenyl)-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide::N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide::SMR000204521::cid_3941128

SMILES COc1ccc(NC(=O)CSc2nnc(Cn3cnc(n3)[N+]([O-])=O)n2C)cc1

InChI Key InChIKey=IAKCRAUBARKABZ-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72214   

TargetGTPase KRas [1-169,G12C](Human)
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US Patent
LigandChemical structure of BindingDB Monomer ID 72214BDBM72214(US20250368634, Example 47)
Affinity DataIC50: 33.7nMAssay 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
Target InfoKEGG
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Date in BDB:
4/15/2026
Entry Details US Patent