BDBM50612872 CHEMBL5284653

SMILES C[n+]1nn(cc1CCCCN)-c1ccc(-c2nc(CCc3ccccc3)cs2)c(OCCN2CCNC2=O)c1

InChI Key InChIKey=OPGOAZPEMDHEOI-UHFFFAOYSA-O

Data  1 KI  6 IC50  1 Kd

  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 8 hits for monomerid = 50612872   

TargetTrypanothione reductase(Leishmania infantum)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataIC50: 9.40E+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
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataIC50: 7.50E+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
TargetTrypanothione reductase(Trypanosoma brucei brucei)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataIC50: 2.69E+4nMAssay Description:Inhibition of HIS-tagged recombinant Trypanosoma brucei TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataIC50: 4.85E+4nMAssay Description:Inhibition of HIS-tagged recombinant Trypanosoma cruzi TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetTrypanothione reductase(Trypanosoma congolense)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataIC50: 1.87E+4nMAssay Description:Inhibition of HIS-tagged recombinant Trypanosoma congolense TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by sp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetGlucocorticoid receptor(Human)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataIC50: 7.50E+4nMAssay Description:Inhibition of HIS-tagged recombinant human GR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectrophotometry bas...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
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataKd:  1.00E+3nMAssay Description:Competitive inhibition of HIS-FLAG-tagged recombinant Leishmania infantum TryR expressed in Escherichia coli assessed as dissociation constant by SPR...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
LigandPNGBDBM50612872(CHEMBL5284653)
Affinity DataKi:  7.30E+3nMAssay Description:Competitive inhibition of HIS-FLAG-tagged recombinant Leishmania infantum TryR expressed in Escherichia coli using TS2 substrate assessed as inhibiti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed