BDBM72150 MLS000573015::N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanamide::N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio}acetamide::N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetamide::N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide::N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide::SMR000194716::cid_2894008

SMILES Cc1c(NC(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)c(=O)n(-c2ccccc2)n1C

InChI Key InChIKey=XHPCBNTZWHRVDF-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 = 72150   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72150BDBM72150(US20250368634, Example 8)
Affinity DataIC50: 74.5nMAssay 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
Target InfoKEGG
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Date in BDB:
4/15/2026
Entry Details US Patent