BDBM71779 (6-methylpyridin-3-yl) 3,4-dimethylbenzoate::3,4-dimethylbenzoic acid (6-methyl-3-pyridinyl) ester::3,4-dimethylbenzoic acid (6-methyl-3-pyridyl) ester::6-methylpyridin-3-yl 3,4-dimethylbenzoate::MLS000084705::SMR000019052::cid_3242485

SMILES COCCNC(=O)c1cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)n2n1

InChI Key InChIKey=HDRSXOPTXZMKCM-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 = 71779   

Target1-phosphatidylinositol 3-phosphate 5-kinase(Human)
Verge Analytics

US Patent
LigandChemical structure of BindingDB Monomer ID 71779BDBM71779(N-(2-methoxyethyl)-7-morpholino-5- (3-(m-tolyl)-1H...)
Affinity DataIC50: 81.5nMAssay 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
In Depth
Date in BDB:
4/13/2026
Entry Details
US Patent