BDBM50203246 CHEMBL3953119::US11530198, Example 2

SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccccc2)c(N)n1

InChI Key InChIKey=MDKTZILMEGSDQH-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50203246   

TargetDihydrofolate reductase(Homo sapiens (Human))
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50:  760nMAssay Description:Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50:  8.70nMAssay Description:Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50:  8.71nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrofolate reductase(Homo sapiens (Human))
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50:  689nMAssay Description:Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50:  692nMAssay Description:TBDMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50:  8.80nMAssay Description:Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed