BDBM72221 5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid [1-anthracen-9-yl-meth-(E)-ylidene]-hydrazide::MLS000589588::N-(9-anthracenylmethylideneamino)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide::N-(9-anthrylmethyleneamino)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide::N-(anthracen-9-ylmethylideneamino)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide::SMR000213026::cid_1268473

SMILES C[C@@H](NC(=O)c1cc(N2CCOCC2)c(F)cc1NC1(C)CN(C)C1)c1cccc(C(F)F)c1F

InChI Key InChIKey=WIFJGKXUXVCUBS-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 = 72221   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72221BDBM72221(US20250368634, Example 54)
Affinity DataIC50: 74.1nMAssay 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