BDBM50070274 CHEMBL17312::Pentanedioic acid (adamantan-1-ylmethyl)-amide (3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenyl)-amide

SMILES CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2)CC1

InChI Key InChIKey=IONJJIDMPXPECU-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 = 50070274   

TargetTrypanothione reductase(Trypanosoma cruzi)
Ura Cnrs 1309

Curated by ChEMBL
LigandPNGBDBM50070274(Pentanedioic acid (adamantan-1-ylmethyl)-amide (3-...)
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