BDBM72954 (2R)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester::(2R)-3-(1H-indol-3-yl)-2-(piperonyloylamino)propionic acid methyl ester::MLS001172456::SMR000589284::cid_2408827::methyl (2R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate::methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate

SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2OCOc2c1

InChI Key InChIKey=BNAZOOCFECXZBZ-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 = 72954   

TargetMAP kinase-interacting serine/threonine-protein kinase 2(Human)
Jumbo Drug Bank Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 72954BDBM72954(US12492215, Compound 4)
Affinity DataIC50: 25nMAssay 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:
4/20/2026
Entry Details US Patent