BDBM50398394 CHEMBL1232702

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

InChI Key InChIKey=UKCFUFHREWUXJJ-UHFFFAOYSA-N

Data  2 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50398394   

TargetPteridine reductase 1(Leishmania major)
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataKi:  37nMAssay Description:Inhibition of Leishmania major PTR1 by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataKi:  800nMAssay Description:Inhibition of human DHFR by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataIC50:  270nMAssay 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 DepthDetails PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataIC50:  260nMAssay 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 DepthDetails PubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataIC50:  4.40E+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 DepthDetails PubMed
TargetPteridine reductase, putative(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataIC50:  50nMAssay 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 DepthDetails PubMed
TargetPteridine reductase 1(Leishmania major)
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398394(CHEMBL1232702)
Affinity DataIC50:  980nMAssay 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