BDBM50398396 CHEMBL2178600

SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cn1

InChI Key InChIKey=KIZAIPYPBOOMIP-UHFFFAOYSA-N

Data  1 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 6 hits for monomerid = 50398396   

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

Curated by ChEMBL
LigandPNGBDBM50398396(CHEMBL2178600)
Affinity DataKi:  210nMAssay Description:Inhibition of Leishmania major PTR1 by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398396(CHEMBL2178600)
Affinity DataIC50:  6.00E+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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398396(CHEMBL2178600)
Affinity DataIC50:  2.57E+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
LigandPNGBDBM50398396(CHEMBL2178600)
Affinity DataIC50:  1.36E+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
TargetPteridine reductase, putative(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
Heidelberg Institute For Theoretical Studies (Hits)

Curated by ChEMBL
LigandPNGBDBM50398396(CHEMBL2178600)
Affinity DataIC50:  550nMAssay 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
LigandPNGBDBM50398396(CHEMBL2178600)
Affinity DataIC50:  6.50E+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