BDBM50571679 CHEMBL4854942

SMILES NCCCCc1cn(nn1)-c1ccc(-c2nc(CCc3ccc4ccccc4c3)cs2)c(OCCN2CCNC2=O)c1

InChI Key InChIKey=XBXPHZJPVRDSBQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50571679   

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

Curated by ChEMBL
LigandPNGBDBM50571679(CHEMBL4854942)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of recombinant His-tagged Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli BL2(DE3) using TS2 as substrate b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetTrypanothione reductase(Leishmania infantum)
Instituto De Qu£Mica M£Dica (Iqm-Csic)

Curated by ChEMBL
LigandPNGBDBM50571679(CHEMBL4854942)
Affinity DataIC50: 7.10E+3nMAssay Description:Inhibition of recombinant His-FLAG-tagged Leishmania infantum TryR dimerization expressed in Escherichia coli BL2(DE3) assessed as reduction in TryR ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetTrypanothione reductase(Trypanosoma brucei brucei)
Instituto De Qu£Mica M£Dica (Iqm-Csic)

Curated by ChEMBL
LigandPNGBDBM50571679(CHEMBL4854942)
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of Trypanosoma brucei TryR oxidoreductase activity using TS2 as substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed