BDBM50612874 CHEMBL5269349

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

InChI Key InChIKey=UNOVKDGKJGWMDR-UHFFFAOYSA-O

Data  2 KI  6 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 8 hits for monomerid = 50612874   

TargetTrypanothione reductase(Leishmania infantum)
Universidad De Alcal£

Curated by ChEMBL
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataIC50: 3.10E+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
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataIC50: 1.03E+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
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataIC50: 4.90E+3nMAssay 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
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataIC50: 9.20E+3nMAssay 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
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataIC50: 3.60E+3nMAssay 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
LigandPNGBDBM50612874(CHEMBL5269349)
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
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataKi:  200nMAssay Description:Mixed non-competitive inhibition of Leishmania infantum TryR using TS2 as substrate assessed as inhibition constant of two-step induced-fit mechanism...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
LigandPNGBDBM50612874(CHEMBL5269349)
Affinity DataKi:  1.20E+3nMAssay Description:Mixed non-competitive inhibition of Leishmania infantum TryR using TS2 as substrate assessed as inhibition constant of first equilibrium by plot anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed