BDBM50531796 CHEMBL4544467::US11530198, Example 12

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

InChI Key InChIKey=YWYMUWNXZFMLTG-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 = 50531796   

TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531796(CHEMBL4544467 | US11530198, Example 12)
Affinity DataIC50: 1.79E+3nMAssay 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
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531796(CHEMBL4544467 | US11530198, Example 12)
Affinity DataIC50: 31nMAssay 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)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531796(CHEMBL4544467 | US11530198, Example 12)
Affinity DataIC50: 1.78E+3nMAssay 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)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531796(CHEMBL4544467 | US11530198, Example 12)
Affinity DataIC50: 30.9nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent

TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531796(CHEMBL4544467 | US11530198, Example 12)
Affinity DataIC50: 214nMAssay 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(Leishmania major)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531796(CHEMBL4544467 | US11530198, Example 12)
Affinity DataIC50: 7.41nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent