BDBM72624 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone::2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone::2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone::2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone::MLS000771169::SMR000376075::cid_2627276

SMILES Cn1c(=S)[nH]c2nc(SCCN3CCCC3)[nH]c2c1=O

InChI Key InChIKey=IODXSYPGFLNICS-UHFFFAOYSA-N

Data  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 = 72624   

TargetDNA repair protein XRCC1(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 72624BDBM72624(US12491188, Compound JA2-4)
Affinity DataIC50: 900nMAssay 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