BDBM50600698 CHEMBL5205037

SMILES COc1ccc(Oc2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1

InChI Key InChIKey=BGMTVROBCGUEED-UHFFFAOYSA-N

Data  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 5 hits for monomerid = 50600698   

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

Curated by ChEMBL
LigandPNGBDBM50600698(CHEMBL5205037)
Affinity DataIC50: 520nMAssay 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
LigandPNGBDBM50600698(CHEMBL5205037)
Affinity DataIC50: 260nMAssay 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
LigandPNGBDBM50600698(CHEMBL5205037)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50600698(CHEMBL5205037)
Affinity DataIC50: 1.00E+5nMAssay 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
LigandPNGBDBM50600698(CHEMBL5205037)
Affinity DataIC50: 1.00E+5nMAssay 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