BDBM50070269 CHEMBL17208::Heptanedioic acid (3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenyl)-amide [3-(2-nitro-phenylsulfanyl)-phenyl]-amide

SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4[N+]([O-])=O)c3)c2)CC1

InChI Key InChIKey=BEUUFEHYIXAHOU-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 = 50070269   

TargetTrypanothione reductase(Trypanosoma cruzi)
Ura Cnrs 1309

Curated by ChEMBL
LigandPNGBDBM50070269(Heptanedioic acid (3-{4-bromo-2-[3-(4-methyl-piper...)
Affinity DataIC50: 6.00E+4nMAssay 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