BDBM50398388 CHEMBL2178604

SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1

InChI Key InChIKey=BRALFIYXTYQKRH-UHFFFAOYSA-N

Data  4 KI  5 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 9 hits for monomerid = 50398388   

TargetPteridine reductase, putative(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataIC50: 1.72E+3nMAssay Description:Inhibition of recombinant Trypanosoma brucei PTR1 expressed in Escherichia coli BL21 (DE3) cells using H2B as substrate in presence of cytochrome c a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetPteridine reductase 1(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataIC50: 2.29E+4nMAssay Description:Inhibition of recombinant Leishmania major PTR1 expressed in Escherichia coli BL21 (DE3) cells using H2B as substrate in presence of cytochrome c and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataIC50: 1.38E+3nMAssay Description:Inhibition of recombinant Trypanosoma brucei DHFR-TS expressed in Escherichia coli BL21 (DE3) cells using dihydrofolate as substrate in presence of N...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataIC50: 600nMAssay Description:Inhibition of recombinant Leishmania major DHFR-TS expressed in Escherichia coli BL21 (DE3) cells using dihydrofolate as substrate in presence of NAD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetDihydrofolate reductase(Human)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of recombinant human DHFR expressed in Escherichia coli BL21 (DE3) cells using dihydrofolate as substrate in presence of NADPH by spectrop...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetDihydrofolate reductase(Human)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataKi:  590nMAssay Description:Inhibition of human DHFR by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetPteridine reductase 1(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataKi:  4.17E+3nMAssay Description:Inhibition of Leishmania major PTR1 by spectrophotometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398388(CHEMBL2178604)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed