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:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50203246   

TargetDihydrofolate reductase(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 Depth
Date in BDB:
8/6/2018
Entry Details Article
PubMed
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 Depth
Date in BDB:
8/6/2018
Entry Details Article
PubMed
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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDihydrofolate reductase(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 Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Turing Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50203246(CHEMBL3953119 | US11530198, Example 2)
Affinity DataIC50: 692nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent

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 Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent