BDBM114415 2-Isobutylsulfanyl-9-methyl-9H-1,3,4,9-tetraaza-fluorene::3-(isobutylthio)-5-methyl-[1,2,4]triazin[5,6-b]indole::5-methyl-3-(2-methylpropylsulfanyl)-[1,2,4]triazino[5,6-b]indole::5-methyl-3-(2-methylpropylthio)-[1,2,4]triazino[5,6-b]indole::MLS001204432::SMR000523457::cid_3153154

SMILES CC[S@](=N)(=O)c1ccc(Cn2cc(C(C)C)c(=O)n3nc(C4CC4)nc23)cc1

InChI Key InChIKey=HTRLSZXIYYGSGR-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 114415   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114415BDBM114415(US20260001886, Compound 56A)
Affinity DataEC50:  1nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent