BDBM50458301 CHEMBL4205871

SMILES CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(N)=O

InChI Key InChIKey=KWCIRCOTVTXJGQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50458301   

TargetTrypanothione reductase(Leishmania infantum)
Instituto De Qu£Mica M£Dica (Iqm-Csic)

Curated by ChEMBL
LigandPNGBDBM50458301(CHEMBL4205871)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of recombinant Leishmania infantum trypanothione reductase using T[S]2 as substrate preincubated for 5 mins followed by substrate and NADP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetTrypanothione reductase(Leishmania infantum)
Instituto De Qu£Mica M£Dica (Iqm-Csic)

Curated by ChEMBL
LigandPNGBDBM50458301(CHEMBL4205871)
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibition of dimerization of HIS/FLAG tagged Leishmania infantum trypanothione reductase incubated for 16 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed