BDBM50531780 CHEMBL4464707::US11530198, Example 73

SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccnnc2)c(N)n1

InChI Key InChIKey=UNGXAKLKRHIMSF-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 = 50531780   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531780(CHEMBL4464707 | US11530198, Example 73)
Affinity DataIC50: 6nMAssay 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
LigandPNGBDBM50531780(CHEMBL4464707 | US11530198, Example 73)
Affinity DataIC50: 1.10E+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
TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531780(CHEMBL4464707 | US11530198, Example 73)
Affinity DataIC50: 1.10E+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
LigandPNGBDBM50531780(CHEMBL4464707 | US11530198, Example 73)
Affinity DataIC50: 6.03nMAssay 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
LigandPNGBDBM50531780(CHEMBL4464707 | US11530198, Example 73)
Affinity DataIC50: 1.59E+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(Leishmania major)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50531780(CHEMBL4464707 | US11530198, Example 73)
Affinity DataIC50: 36.3nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent