BDBM50070268 CHEMBL276829::Heptanedioic acid (3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenyl)-amide [4-(4-dimethylaminomethyl-phenylamino)-9,10-dioxo-9,10-dihydro-anthracen-1-yl]-amide

SMILES CN(C)Cc1ccc(Nc2ccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c3C(=O)c4ccccc4C(=O)c23)cc1

InChI Key InChIKey=FAFWUKANGIUNBE-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 = 50070268   

TargetTrypanothione reductase(Trypanosoma cruzi)
Ura Cnrs 1309

Curated by ChEMBL
LigandPNGBDBM50070268(Heptanedioic acid (3-{4-bromo-2-[3-(4-methyl-piper...)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of trypanothione reductase from Trypanosoma cruzi, in the presence 57 uM of trypanothione T(SH)2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed