BDBM50571699 CHEMBL4855840

SMILES NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1

InChI Key InChIKey=XKKZSPOJQMWRJD-UHFFFAOYSA-N

Data  12 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50571699   

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

Curated by ChEMBL
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataIC50: 4.30E+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
LigandPNGBDBM50571699(CHEMBL4855840)
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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataIC50: 7.30E+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
TargetTrypanothione reductase(Leishmania infantum)
Instituto De Qu£Mica M£Dica (Iqm-Csic)

Curated by ChEMBL
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  500nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 6.2 uM TS2 by DTNB-reagent based s...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  500nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 12.5 uM TS2 by DTNB-reagent based ...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  600nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 3.1 uM TS2 by DTNB-reagent based s...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  800nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 25 uM TS2 by DTNB-reagent based sp...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 100 uM TS2 by DTNB-reagent based s...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 50 uM TS2 by DTNB-reagent based sp...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  5.00E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 100 uM TS2 by DTNB-...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 12.5 uM TS2 by DTNB...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  7.20E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 6.2 uM TS2 by DTNB-...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  8.30E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 25 uM TS2 by DTNB-r...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  8.90E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 3.1 uM TS2 by DTNB-...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
LigandPNGBDBM50571699(CHEMBL4855840)
Affinity DataKi:  9.30E+3nMAssay Description:Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 50 uM TS2 by DTNB-r...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed