BDBM50398391 CHEMBL2178602

SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCO)Cc1cnc2nc(N)nc(N)c2n1

InChI Key InChIKey=JFXCDKAYLSVCHK-UHFFFAOYSA-N

Data  3 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 8 hits for monomerid = 50398391   

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

Curated by ChEMBL
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataIC50: 200nMAssay 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
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataIC50: 4.72E+3nMAssay 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
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataIC50: 1.26E+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
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataIC50: 1.21E+3nMAssay 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
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataIC50: 2.70E+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
TargetPteridine reductase 1(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataKi:  30nMAssay 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
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataKi:  4.33E+3nMAssay 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
TargetThymidylate synthase(Human)
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398391(CHEMBL2178602)
Affinity DataKi:  6.40E+4nMAssay Description:Inhibition of human TS by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed