BDBM50571688 CHEMBL4867019

SMILES COc1cc(ccc1-c1nc(CCc2ccc(cc2)-c2ccccc2)cs1)-n1cc(CCCCN)nn1

InChI Key InChIKey=OXUIMYTVQKCXKI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50571688   

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

Curated by ChEMBL
LigandPNGBDBM50571688(CHEMBL4867019)
Affinity DataIC50: 2.68E+4nMAssay 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
LigandPNGBDBM50571688(CHEMBL4867019)
Affinity DataIC50: 1.61E+4nMAssay 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