BDBM50612886 CHEMBL5275080

SMILES CC[n+]1nn(cc1CCCCN)-c1ccc(-c2nc(CCc3ccc(cc3)-c3ccccc3)cs2)c(OCCN2CCNC2=O)c1

InChI Key InChIKey=YRLUETCKYZQLET-UHFFFAOYSA-O

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 = 50612886   

TargetTrypanothione reductase(Leishmania infantum)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612886(CHEMBL5275080)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of HIS-tagged recombinant Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetTrypanothione reductase(Leishmania infantum)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612886(CHEMBL5275080)
Affinity DataIC50: 5.69E+4nMAssay Description:Disruption of HIS-FLAG-tagged recombinant Leishmania infantum TryR dimerization expressed in Escherichia coli Rossetta BL21 (DE3) cells incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed