BDBM50398393 CHEMBL2178599

SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1

InChI Key InChIKey=LMKXBYYGJWCTTQ-UHFFFAOYSA-N

Data  2 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 7 hits for monomerid = 50398393   

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

Curated by ChEMBL
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataKi:  390nMAssay Description:Inhibition of Leishmania major PTR1 by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataKi:  1.54E+4nMAssay 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
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataIC50:  2.90E+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 DepthDetails PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataIC50:  1.11E+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 DepthDetails PubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Universita` Degli Studi Di Sassari

Curated by ChEMBL
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataIC50:  6.50E+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 DepthDetails PubMed
TargetPteridine reductase, putative(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataIC50:  820nMAssay 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
LigandPNGBDBM50398393(CHEMBL2178599)
Affinity DataIC50:  7.72E+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 DepthDetails PubMed