BDBM72149 2-[2-(4-{2-hydroxy-3-[(3,4,5-trimethoxybenzyl)oxy]propyl}-1-piperazinyl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione::2-[2-[4-[2-hydroxy-3-(3,4,5-trimethoxybenzyl)oxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone;hydrochloride::2-[2-[4-[2-hydroxy-3-[(3,4,5-trimethoxyphenyl)methoxy]propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[2-hydroxy-3-[(3,4,5-trimethoxyphenyl)methoxy]propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[2-oxidanyl-3-[(3,4,5-trimethoxyphenyl)methoxy]propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::MLS000538234::SMR000162946::cid_11958909

SMILES Cc1c([C@@H](C)NC(=O)c2cc(N3CC4(C3)CS(=O)(=O)C4)c(F)cc2NC2CCN(C)CC2)cccc1C(F)(F)F

InChI Key InChIKey=FAKLTZGUPWTPHU-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72149   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72149BDBM72149(US20250368634, Example 7)
Affinity DataIC50: 27.9nMAssay 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